1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine

C15H21ClN4 — CID 105184130

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCCCn1ncc(Cl)c1C(CCc1ccccn1)NC
InChIInChI=1S/C15H21ClN4/c1-3-10-20-15(13(16)11-19-20)14(17-2)8-7-12-6-4-5-9-18-12/h4-6,9,11,14,17H,3,7-8,10H2,1-2H3
InChIKeyIXBLPVAPNFUFHA-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.23
Rot. Bonds7

About 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine

1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 105184130) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
PubChem CID105184130
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCCCn1ncc(Cl)c1C(CCc1ccccn1)NC
InChIInChI=1S/C15H21ClN4/c1-3-10-20-15(13(16)11-19-20)14(17-2)8-7-12-6-4-5-9-18-12/h4-6,9,11,14,17H,3,7-8,10H2,1-2H3
InChIKeyIXBLPVAPNFUFHA-UHFFFAOYSA-N
XLogP3.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105183735
N-methyl-1-(2-propylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105148151
1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol
CID 114642988
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114649430
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-pyridin-2-ylethyl]hydrazine
CID 105199815
2-(4-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylethanamine
CID 114647354
1-(4-chloro-1-propylpyrazol-5-yl)-3-cyclopentyl-N-methylpropan-1-amine
CID 105042610
1-(4-chloro-1-propylpyrazol-5-yl)-N-methylbut-3-en-1-amine
CID 114660818
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105184016
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105184165
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106465261
1-(3-bromo-2-pyridinyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660548

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine (CID 105184130) is 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine is CCCn1ncc(Cl)c1C(CCc1ccccn1)NC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is IXBLPVAPNFUFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-3-10-20-15(13(16)11-19-20)14(17-2)8-7-12-6-4-5-9-18-12/h4-6,9,11,14,17H,3,7-8,10H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 292.81 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 105184130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).