[1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine

C16H15ClN4O — CID 82072849

IUPAC[1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine
SMILESCOc1ccc(-n2nc(CN)cc2-c2cccnc2)cc1Cl
InChIInChI=1S/C16H15ClN4O/c1-22-16-5-4-13(8-14(16)17)21-15(7-12(9-18)20-21)11-3-2-6-19-10-11/h2-8,10H,9,18H2,1H3
InChIKeyHFOUYGNGKASIBG-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.06
Rot. Bonds4

About [1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine

[1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine (PubChem CID 82072849) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is [1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine
PubChem CID82072849
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name[1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine
SMILESCOc1ccc(-n2nc(CN)cc2-c2cccnc2)cc1Cl
InChIInChI=1S/C16H15ClN4O/c1-22-16-5-4-13(8-14(16)17)21-15(7-12(9-18)20-21)11-3-2-6-19-10-11/h2-8,10H,9,18H2,1H3
InChIKeyHFOUYGNGKASIBG-UHFFFAOYSA-N
XLogP3.06
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
CID 82072774
[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine
CID 62737585
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
[1-(3-chloro-4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 82091856
1-(3-chloro-4-methoxyphenyl)-3-(chloromethyl)-5-methylpyrazole
CID 94697073
2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
CID 82072788
4-(3-chloro-4-methoxyphenyl)-6-pyridin-3-ylpyrimidin-2-amine
CID 58626083
[1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 95483572
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid
CID 82220360
[5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072345
2-(1-pyridin-2-yl-5-pyridin-3-ylpyrazol-3-yl)ethanamine
CID 82072789

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine?
The IUPAC name of [1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine (CID 82072849) is [1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine?
The canonical SMILES for [1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine is COc1ccc(-n2nc(CN)cc2-c2cccnc2)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine?
The InChIKey is HFOUYGNGKASIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-22-16-5-4-13(8-14(16)17)21-15(7-12(9-18)20-21)11-3-2-6-19-10-11/h2-8,10H,9,18H2,1H3.
What are the key properties of [1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine?
[1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine has a molecular weight of 314.78 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine is sourced from PubChem (CID 82072849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).