4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine

C11H12ClN3 — CID 83910681

IUPAC4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine
SMILESCc1cccc(-c2c(Cl)c(N)nn2C)c1
InChIInChI=1S/C11H12ClN3/c1-7-4-3-5-8(6-7)10-9(12)11(13)14-15(10)2/h3-6H,1-2H3,(H2,13,14)
InChIKeyUBHQGAFASSESNM-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.63
Rot. Bonds1

About 4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine

4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine (PubChem CID 83910681) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine
PubChem CID83910681
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine
SMILESCc1cccc(-c2c(Cl)c(N)nn2C)c1
InChIInChI=1S/C11H12ClN3/c1-7-4-3-5-8(6-7)10-9(12)11(13)14-15(10)2/h3-6H,1-2H3,(H2,13,14)
InChIKeyUBHQGAFASSESNM-UHFFFAOYSA-N
XLogP2.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine
CID 83912296
4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole
CID 19587079
4-chloro-2-methyl-5-(3-methylphenyl)pyrazole-3-carbaldehyde
CID 83911945
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)pyrazol-4-amine
CID 83205233
4-chloro-1-(3,4-dichlorophenyl)-3,5-bis(3-methylphenyl)pyrazole
CID 19587233
4-chloro-1-methyl-5-(3-methylphenyl)-3-phenylpyrazolo[3,4-c]pyridazine
CID 66576806
4-chloro-1-methyl-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine
CID 66576808
1-tert-butyl-3-(3-methylphenyl)pyrazol-4-amine
CID 83222373
1-ethyl-3-(3-methylphenyl)pyrazol-4-amine
CID 83216683
4-chloro-6-(3-methylphenyl)pyridazin-3-amine
CID 117106954
4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole
CID 83739505
1-methyl-3,5-bis(3-methylphenyl)-4-propoxypyrazole
CID 21489469

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine (CID 83910681) is 4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine is Cc1cccc(-c2c(Cl)c(N)nn2C)c1.
What is the InChIKey of 4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine?
The InChIKey is UBHQGAFASSESNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-7-4-3-5-8(6-7)10-9(12)11(13)14-15(10)2/h3-6H,1-2H3,(H2,13,14).
What are the key properties of 4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine?
4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine has a molecular weight of 221.69 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine is sourced from PubChem (CID 83910681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).