1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C15H24ClN5 — CID 105183138

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1c(C)nn(C)c1C)c1c(Cl)cnn1CC
InChIInChI=1S/C15H24ClN5/c1-6-17-14(15-13(16)9-18-21(15)7-2)8-12-10(3)19-20(5)11(12)4/h9,14,17H,6-8H2,1-5H3
InChIKeyPHXVDVXVSULBHC-UHFFFAOYSA-N
MW309.85 g/mol
LogP2.80
Rot. Bonds6

About 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105183138) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105183138
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1c(C)nn(C)c1C)c1c(Cl)cnn1CC
InChIInChI=1S/C15H24ClN5/c1-6-17-14(15-13(16)9-18-21(15)7-2)8-12-10(3)19-20(5)11(12)4/h9,14,17H,6-8H2,1-5H3
InChIKeyPHXVDVXVSULBHC-UHFFFAOYSA-N
XLogP2.80
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105336257
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105104351
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethylnonan-1-amine
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1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105183136
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-propylsulfanylethanamine
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1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105183226
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-difluorophenyl)-N-ethylethanamine
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N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105148851
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105186707
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine
CID 114658220
N-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105175253

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105183138) is 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is CCNC(Cc1c(C)nn(C)c1C)c1c(Cl)cnn1CC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is PHXVDVXVSULBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-6-17-14(15-13(16)9-18-21(15)7-2)8-12-10(3)19-20(5)11(12)4/h9,14,17H,6-8H2,1-5H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 309.85 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105183138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).