1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine

C11H12ClN3 — CID 843044

IUPAC1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3/c1-8-6-11(13)14-15(8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H2,13,14)
InChIKeyRKEBNFAAJDMVBI-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.48
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine

1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine (PubChem CID 843044) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine
PubChem CID843044
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3/c1-8-6-11(13)14-15(8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H2,13,14)
InChIKeyRKEBNFAAJDMVBI-UHFFFAOYSA-N
XLogP2.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine (CID 843044) is 1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine is Cc1cc(N)nn1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is RKEBNFAAJDMVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-8-6-11(13)14-15(8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H2,13,14).
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine?
1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 221.69 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 843044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).