1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea

C17H15ClN4OS — CID 17112503

IUPAC1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C17H15ClN4OS/c1-23-14-8-6-13(7-9-14)19-17(24)20-16-10-15(21-22-16)11-2-4-12(18)5-3-11/h2-10H,1H3,(H3,19,20,21,22,24)
InChIKeyOEAAQLGCAQRKIJ-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.55
Rot. Bonds4

About 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea

1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea (PubChem CID 17112503) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea
PubChem CID17112503
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC Name1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C17H15ClN4OS/c1-23-14-8-6-13(7-9-14)19-17(24)20-16-10-15(21-22-16)11-2-4-12(18)5-3-11/h2-10H,1H3,(H3,19,20,21,22,24)
InChIKeyOEAAQLGCAQRKIJ-UHFFFAOYSA-N
XLogP4.55
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea 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-(4-methylphenyl)-3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiourea
CID 2384954
1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea
CID 935371
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide
CID 110478313
1-(4-chloroanilino)-3-(4-methoxyphenyl)thiourea
CID 8619679
1-(3-chloro-2-methylphenyl)-3-[5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-yl]thiourea
CID 18524374
N-[4-(3-acetamido-1H-pyrazol-5-yl)phenyl]acetamide
CID 2268930
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
CID 25260346
1-(4-methoxyphenyl)-3-pyridin-4-ylthiourea
CID 12969522
1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea
CID 133196943
1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-2-sulfanylidene-1H-imidazol-3-yl]thiourea
CID 146000944
1-(4-methoxyphenyl)-3-(1,2-oxazol-3-yl)thiourea
CID 19686853
1-(4-methoxyphenyl)-3-[4-[6-[(4-methoxyphenyl)carbamothioylamino]-1H-benzimidazol-2-yl]phenyl]thiourea
CID 2488329

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea?
The IUPAC name of 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea (CID 17112503) is 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea is COc1ccc(NC(=S)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)cc1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea?
The InChIKey is OEAAQLGCAQRKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c1-23-14-8-6-13(7-9-14)19-17(24)20-16-10-15(21-22-16)11-2-4-12(18)5-3-11/h2-10H,1H3,(H3,19,20,21,22,24).
What are the key properties of 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea?
1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea has a molecular weight of 358.85 g/mol, XLogP of 4.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-(4-methoxyphenyl)thiourea is sourced from PubChem (CID 17112503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).