2-(5-chloro-2-methylphenyl)pyrazol-3-amine

C10H10ClN3 — CID 82470501

IUPAC2-(5-chloro-2-methylphenyl)pyrazol-3-amine
SMILESCc1ccc(Cl)cc1-n1nccc1N
InChIInChI=1S/C10H10ClN3/c1-7-2-3-8(11)6-9(7)14-10(12)4-5-13-14/h2-6H,12H2,1H3
InChIKeyORVOTWYZWNRPNZ-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.42
Rot. Bonds1

About 2-(5-chloro-2-methylphenyl)pyrazol-3-amine

2-(5-chloro-2-methylphenyl)pyrazol-3-amine (PubChem CID 82470501) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)pyrazol-3-amine
PubChem CID82470501
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name2-(5-chloro-2-methylphenyl)pyrazol-3-amine
SMILESCc1ccc(Cl)cc1-n1nccc1N
InChIInChI=1S/C10H10ClN3/c1-7-2-3-8(11)6-9(7)14-10(12)4-5-13-14/h2-6H,12H2,1H3
InChIKeyORVOTWYZWNRPNZ-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)pyrazol-3-amine
CID 43316773
4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole
CID 82088582
2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole
CID 142810831
2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one
CID 7277251
1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile
CID 82196284
[1-(5-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82091414
4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62681355
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82196353
[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 4737111
3-bromo-1-(5-chloro-2-methylphenyl)pyrazolo[5,4-b]pyridine
CID 84605259
5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile
CID 22310098
3-(5-chloro-2-methylphenyl)-2-methylpyrimidin-4-one
CID 13268369

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)pyrazol-3-amine?
The IUPAC name of 2-(5-chloro-2-methylphenyl)pyrazol-3-amine (CID 82470501) is 2-(5-chloro-2-methylphenyl)pyrazol-3-amine.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)pyrazol-3-amine?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)pyrazol-3-amine is Cc1ccc(Cl)cc1-n1nccc1N.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)pyrazol-3-amine?
The InChIKey is ORVOTWYZWNRPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-7-2-3-8(11)6-9(7)14-10(12)4-5-13-14/h2-6H,12H2,1H3.
What are the key properties of 2-(5-chloro-2-methylphenyl)pyrazol-3-amine?
2-(5-chloro-2-methylphenyl)pyrazol-3-amine has a molecular weight of 207.66 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenyl)pyrazol-3-amine is sourced from PubChem (CID 82470501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).