[3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine

C16H15ClN4 — CID 23068676

IUPAC[3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine
SMILESCc1[nH]nc(-c2cccc(Cl)c2)c1-c1cccnc1CN
InChIInChI=1S/C16H15ClN4/c1-10-15(13-6-3-7-19-14(13)9-18)16(21-20-10)11-4-2-5-12(17)8-11/h2-8H,9,18H2,1H3,(H,20,21)
InChIKeyYPALZKHJRSXXQR-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.56
Rot. Bonds3

About [3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine

[3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine (PubChem CID 23068676) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is [3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine
PubChem CID23068676
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name[3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine
SMILESCc1[nH]nc(-c2cccc(Cl)c2)c1-c1cccnc1CN
InChIInChI=1S/C16H15ClN4/c1-10-15(13-6-3-7-19-14(13)9-18)16(21-20-10)11-4-2-5-12(17)8-11/h2-8H,9,18H2,1H3,(H,20,21)
InChIKeyYPALZKHJRSXXQR-UHFFFAOYSA-N
XLogP3.56
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-chlorophenyl)-2-pyridinyl]methanamine
CID 82106044
2-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 57056355
3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine
CID 57112868
[3-(3-methylphenyl)-2-pyridinyl]methanamine
CID 82106036
3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-amine
CID 46167948
2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine
CID 82476314
2-(3-chlorophenyl)-3-pyridin-2-ylpyridine
CID 90094366
3-(3,5-dichlorophenyl)-2-ethylpyridine
CID 118357675
4-[3-(3-ethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 22037470
2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65233339
8-(3-chlorophenyl)-6-methylquinoline
CID 19381187
[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127944

Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine (CID 23068676) is [3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine is Cc1[nH]nc(-c2cccc(Cl)c2)c1-c1cccnc1CN.
What is the InChIKey of [3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine?
The InChIKey is YPALZKHJRSXXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-10-15(13-6-3-7-19-14(13)9-18)16(21-20-10)11-4-2-5-12(17)8-11/h2-8H,9,18H2,1H3,(H,20,21).
What are the key properties of [3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine?
[3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine has a molecular weight of 298.78 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 23068676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).