1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine

C13H16ClN3 — CID 66424137

IUPAC1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine
SMILESCc1ccc(-n2ncc(N)c2C(C)C)cc1Cl
InChIInChI=1S/C13H16ClN3/c1-8(2)13-12(15)7-16-17(13)10-5-4-9(3)11(14)6-10/h4-8H,15H2,1-3H3
InChIKeyXVMQZDGKPRNYHO-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.54
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine

1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine (PubChem CID 66424137) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine
PubChem CID66424137
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine
SMILESCc1ccc(-n2ncc(N)c2C(C)C)cc1Cl
InChIInChI=1S/C13H16ClN3/c1-8(2)13-12(15)7-16-17(13)10-5-4-9(3)11(14)6-10/h4-8H,15H2,1-3H3
InChIKeyXVMQZDGKPRNYHO-UHFFFAOYSA-N
XLogP3.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine
CID 60866837
1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 28606324
1-phenyl-5-propan-2-ylpyrazol-4-amine
CID 66424131
1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride
CID 86775375
5-amino-1-(3-chloro-4-methylphenyl)pyrazole-4-carboxylic acid
CID 79018726
1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-amine
CID 66425931
4-(bromomethyl)-1-(3-chloro-4-methylphenyl)-5-ethylpyrazole
CID 66438579
[1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 95483572
2-[1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528117
4-amino-2-(3-chloro-4-methylphenyl)-5-propan-2-yl-1H-pyrazol-3-one
CID 113363130
5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine
CID 66441226
1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 114702831

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine (CID 66424137) is 1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine is Cc1ccc(-n2ncc(N)c2C(C)C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine?
The InChIKey is XVMQZDGKPRNYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-8(2)13-12(15)7-16-17(13)10-5-4-9(3)11(14)6-10/h4-8H,15H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine?
1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine has a molecular weight of 249.75 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66424137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).