1-[(3-chlorophenyl)methyl]pyrazol-4-amine

C10H10ClN3 — CID 7017127

IUPAC1-[(3-chlorophenyl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C10H10ClN3/c11-9-3-1-2-8(4-9)6-14-7-10(12)5-13-14/h1-5,7H,6,12H2
InChIKeyWHFMWXVGLGPVDW-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.17
Rot. Bonds2

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

1-[(3-chlorophenyl)methyl]pyrazol-4-amine (PubChem CID 7017127) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]pyrazol-4-amine
PubChem CID7017127
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name1-[(3-chlorophenyl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C10H10ClN3/c11-9-3-1-2-8(4-9)6-14-7-10(12)5-13-14/h1-5,7H,6,12H2
InChIKeyWHFMWXVGLGPVDW-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120
1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine
CID 165479511
1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide
CID 63278705
1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 44630925
1-[(4-chloro-3-methylphenyl)methyl]pyrazol-4-amine
CID 152953618
1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine
CID 75357825
1-[(3-chlorophenoxy)methyl]pyrazol-4-amine
CID 7017255
1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63754789
1-[(3-chlorophenyl)methyl]-4-(3-iodophenyl)pyrazole
CID 79787414
N-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 55110405
1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 16640517
2-(4-aminopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 61106727

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]pyrazol-4-amine (CID 7017127) is 1-[(3-chlorophenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]pyrazol-4-amine is Nc1cnn(Cc2cccc(Cl)c2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]pyrazol-4-amine?
The InChIKey is WHFMWXVGLGPVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-9-3-1-2-8(4-9)6-14-7-10(12)5-13-14/h1-5,7H,6,12H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]pyrazol-4-amine?
1-[(3-chlorophenyl)methyl]pyrazol-4-amine has a molecular weight of 207.66 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 7017127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).