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

C10H10ClN3 — CID 2735304

IUPAC3-(4-chlorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C10H10ClN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
InChIKeyZSFCXTGPGSAWFT-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.32
Rot. Bonds1

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

3-(4-chlorophenyl)-1-methylpyrazol-5-amine (PubChem CID 2735304) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methylpyrazol-5-amine
PubChem CID2735304
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name3-(4-chlorophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C10H10ClN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
InChIKeyZSFCXTGPGSAWFT-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-1-methylpyrazol-5-amine (CID 2735304) is 3-(4-chlorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccc(Cl)cc2)cc1N.
What is the InChIKey of 3-(4-chlorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is ZSFCXTGPGSAWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-methylpyrazol-5-amine?
3-(4-chlorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 207.66 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 2735304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).