1-(3-chlorophenyl)-5-methylpyrazol-4-amine

C10H10ClN3 — CID 60867010

IUPAC1-(3-chlorophenyl)-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3/c1-7-10(12)6-13-14(7)9-4-2-3-8(11)5-9/h2-6H,12H2,1H3
InChIKeyGVOBTDZLOBTPRX-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.42
Rot. Bonds1

About 1-(3-chlorophenyl)-5-methylpyrazol-4-amine

1-(3-chlorophenyl)-5-methylpyrazol-4-amine (PubChem CID 60867010) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-methylpyrazol-4-amine
PubChem CID60867010
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name1-(3-chlorophenyl)-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3/c1-7-10(12)6-13-14(7)9-4-2-3-8(11)5-9/h2-6H,12H2,1H3
InChIKeyGVOBTDZLOBTPRX-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-methylpyrazol-4-amine?
The IUPAC name of 1-(3-chlorophenyl)-5-methylpyrazol-4-amine (CID 60867010) is 1-(3-chlorophenyl)-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-5-methylpyrazol-4-amine?
The canonical SMILES for 1-(3-chlorophenyl)-5-methylpyrazol-4-amine is Cc1c(N)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-methylpyrazol-4-amine?
The InChIKey is GVOBTDZLOBTPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-7-10(12)6-13-14(7)9-4-2-3-8(11)5-9/h2-6H,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-5-methylpyrazol-4-amine?
1-(3-chlorophenyl)-5-methylpyrazol-4-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 1-(3-chlorophenyl)-5-methylpyrazol-4-amine is sourced from PubChem (CID 60867010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).