1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine

C14H12ClN3O — CID 43381280

IUPAC1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine
SMILESCc1occc1-c1cc(N)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H12ClN3O/c1-9-12(6-7-19-9)13-8-14(16)18(17-13)11-4-2-10(15)3-5-11/h2-8H,16H2,1H3
InChIKeyYLYKCQGMUBEIMF-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.68
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine

1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine (PubChem CID 43381280) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine
PubChem CID43381280
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine
SMILESCc1occc1-c1cc(N)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H12ClN3O/c1-9-12(6-7-19-9)13-8-14(16)18(17-13)11-4-2-10(15)3-5-11/h2-8H,16H2,1H3
InChIKeyYLYKCQGMUBEIMF-UHFFFAOYSA-N
XLogP3.68
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_A(1)', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-(2-methylfuran-3-yl)pyrazol-5-amine
CID 61265895
3-(5-bromofuran-2-yl)-1-(4-chlorophenyl)pyrazol-5-amine
CID 43381273
1-[(4-fluorophenyl)methyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine
CID 63278628
1-[2-(dimethylamino)ethyl]-3-(2-methylfuran-3-yl)pyrazol-5-amine
CID 62688040
1-(3-methylbutyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine
CID 61415906
1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine
CID 43381271
3-(2,4-dichlorophenyl)-1-pyridin-4-ylpyrazol-5-amine
CID 43543157
1-(4-chlorophenyl)-3-propylpyrazol-5-amine
CID 82083521
3-(2,4-dimethylphenyl)-1-phenylpyrazol-5-amine
CID 43336745
3-(3,5-dichlorophenyl)-1-phenylpyrazol-5-amine
CID 43336748
3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine
CID 63210180
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine
CID 1478026

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine (CID 43381280) is 1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine is Cc1occc1-c1cc(N)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine?
The InChIKey is YLYKCQGMUBEIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-9-12(6-7-19-9)13-8-14(16)18(17-13)11-4-2-10(15)3-5-11/h2-8H,16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine?
1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine has a molecular weight of 273.72 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine is sourced from PubChem (CID 43381280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).