3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine

C43H46Cl4N16O3 — CID 158546305

IUPAC3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine
SMILESCC(=O)Nc1cn(-c2cccnc2)nc1Cl.CC(=O)Nc1cn[nH]c1Cl.CCN(C(C)=O)c1cn(-c2cccnc2)nc1Cl.CCNc1cn(-c2cccnc2)nc1Cl.Cc1cccnc1
InChIInChI=1S/C12H13ClN4O.C10H9ClN4O.C10H11ClN4.C6H7N.C5H6ClN3O/c1-3-16(9(2)18)11-8-17(15-12(11)13)10-5-4-6-14-7-10;1-7(16)13-9-6-15(14-10(9)11)8-3-2-4-12-5-8;1-2-13-9-7-15(14-10(9)11)8-4-3-5-12-6-8;1-6-3-2-4-7-5-6;1-3(10)8-4-2-7-9-5(4)6/h4-8H,3H2,1-2H3;2-6H,1H3,(H,13,16);3-7,13H,2H2,1H3;2-5H,1H3;2H,1H3,(H,7,9)(H,8,10)
InChIKeyHPDPZCIGVHMSPE-UHFFFAOYSA-N
MW976.76 g/mol
LogP8.94
Rot. Bonds9

About 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine

3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine (PubChem CID 158546305) has the molecular formula C43H46Cl4N16O3 and a molecular weight of 976.76 g/mol. Its IUPAC name is 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine.

Molecular Properties

Compound Name3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine
PubChem CID158546305
Molecular FormulaC43H46Cl4N16O3
Molecular Weight976.76 g/mol
Exact Mass974.27
IUPAC Name3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine
SMILESCC(=O)Nc1cn(-c2cccnc2)nc1Cl.CC(=O)Nc1cn[nH]c1Cl.CCN(C(C)=O)c1cn(-c2cccnc2)nc1Cl.CCNc1cn(-c2cccnc2)nc1Cl.Cc1cccnc1
InChIInChI=1S/C12H13ClN4O.C10H9ClN4O.C10H11ClN4.C6H7N.C5H6ClN3O/c1-3-16(9(2)18)11-8-17(15-12(11)13)10-5-4-6-14-7-10;1-7(16)13-9-6-15(14-10(9)11)8-3-2-4-12-5-8;1-2-13-9-7-15(14-10(9)11)8-4-3-5-12-6-8;1-6-3-2-4-7-5-6;1-3(10)8-4-2-7-9-5(4)6/h4-8H,3H2,1-2H3;2-6H,1H3,(H,13,16);3-7,13H,2H2,1H3;2-5H,1H3;2H,1H3,(H,7,9)(H,8,10)
InChIKeyHPDPZCIGVHMSPE-UHFFFAOYSA-N
XLogP8.94
TPSA224.24 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500976.76
LogP ≤ 58.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine with MolForge

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Related Compounds

sodium;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate
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tert-butyl N-[[6-(4-chloropyrazol-1-yl)-3-pyridinyl]methyl]carbamate;2-chloro-5-isocyanopyridine;4-chloro-1H-pyrazole;2-(4-chloropyrazol-1-yl)-5-isocyanopyridine;[6-(4-chloropyrazol-1-yl)-3-pyridinyl]methanamine
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tert-butyl 4-(5-phenyl-1H-pyrazol-4-yl)piperazine-1-carboxylate;tert-butyl 4-[3-phenyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxylate;2-(chloromethyl)pyridine;1-[3-phenyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]piperazine;hydrochloride
CID 157566421
sodium;bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride
CID 158796307
bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;pentane;hydrochloride
CID 159173490
sodium;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate
CID 159407805
sodium;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;2-methylpropan-2-olate
CID 160355441
1-(3-Chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylidenepyrrolidine-2,5-dione;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylpyrrole-2,5-dione;1-(1-pyridin-3-ylpyrazol-4-yl)-2,3-dihydropyridin-6-one;1-(1-pyridin-3-ylpyrazol-4-yl)-2,5-dihydropyridin-6-one
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3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;(5-chloro-2-pyridin-3-yl-1H-pyrazol-2-ium-4-yl)-ethylazanium;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;methane;hydrochloride
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3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;5-chloro-1H-pyrazol-4-amine;3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;3-methylpyridine
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(5S)-5-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-1-methylpyrrolidin-2-one;(5S)-5-[[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]pyrrolidin-2-one
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sodium;bromoethane;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride
CID 161914724

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine?
The IUPAC name of 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine (CID 158546305) is 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine.
What is the SMILES notation for 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine?
The canonical SMILES for 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine is CC(=O)Nc1cn(-c2cccnc2)nc1Cl.CC(=O)Nc1cn[nH]c1Cl.CCN(C(C)=O)c1cn(-c2cccnc2)nc1Cl.CCNc1cn(-c2cccnc2)nc1Cl.Cc1cccnc1.
What is the InChIKey of 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine?
The InChIKey is HPDPZCIGVHMSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O.C10H9ClN4O.C10H11ClN4.C6H7N.C5H6ClN3O/c1-3-16(9(2)18)11-8-17(15-12(11)13)10-5-4-6-14-7-10;1-7(16)13-9-6-15(14-10(9)11)8-3-2-4-12-5-8;1-2-13-9-7-15(14-10(9)11)8-4-3-5-12-6-8;1-6-3-2-4-7-5-6;1-3(10)8-4-2-7-9-5(4)6/h4-8H,3H2,1-2H3;2-6H,1H3,(H,13,16);3-7,13H,2H2,1H3;2-5H,1H3;2H,1H3,(H,7,9)(H,8,10).
What are the key properties of 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine?
3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine has a molecular weight of 976.76 g/mol, XLogP of 8.94, 9 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(5-chloro-1H-pyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;3-methylpyridine is sourced from PubChem (CID 158546305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).