2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine

C17H17ClN4 — CID 82072788

IUPAC2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
SMILESCc1ccc(Cl)cc1-n1nc(CCN)cc1-c1cccnc1
InChIInChI=1S/C17H17ClN4/c1-12-4-5-14(18)9-16(12)22-17(10-15(21-22)6-7-19)13-3-2-8-20-11-13/h2-5,8-11H,6-7,19H2,1H3
InChIKeyAOTMZQXCSNGNAL-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.40
Rot. Bonds4

About 2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine

2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine (PubChem CID 82072788) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
PubChem CID82072788
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
SMILESCc1ccc(Cl)cc1-n1nc(CCN)cc1-c1cccnc1
InChIInChI=1S/C17H17ClN4/c1-12-4-5-14(18)9-16(12)22-17(10-15(21-22)6-7-19)13-3-2-8-20-11-13/h2-5,8-11H,6-7,19H2,1H3
InChIKeyAOTMZQXCSNGNAL-UHFFFAOYSA-N
XLogP3.40
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-pyridin-2-yl-5-pyridin-3-ylpyrazol-3-yl)ethanamine
CID 82072789
2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
CID 82072774
2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 82072157
[1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82072567
[1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072108
[1-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanamine
CID 82072849
[1-(5-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82091414
1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid
CID 67954522
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82476554
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82196353
2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
CID 67580466

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine?
The IUPAC name of 2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine (CID 82072788) is 2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine is Cc1ccc(Cl)cc1-n1nc(CCN)cc1-c1cccnc1.
What is the InChIKey of 2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine?
The InChIKey is AOTMZQXCSNGNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c1-12-4-5-14(18)9-16(12)22-17(10-15(21-22)6-7-19)13-3-2-8-20-11-13/h2-5,8-11H,6-7,19H2,1H3.
What are the key properties of 2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine?
2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine has a molecular weight of 312.80 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine is sourced from PubChem (CID 82072788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).