1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea

C15H13ClN4OS — CID 42687523

IUPAC1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea
SMILESCc1[nH]nc(-c2ccsc2)c1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN4OS/c1-9-13(14(20-19-9)10-6-7-22-8-10)18-15(21)17-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyUCBUOUUDOSYZRD-UHFFFAOYSA-N
MW332.82 g/mol
LogP4.74
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea

1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea (PubChem CID 42687523) has the molecular formula C15H13ClN4OS and a molecular weight of 332.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea
PubChem CID42687523
Molecular FormulaC15H13ClN4OS
Molecular Weight332.82 g/mol
Exact Mass332.05
IUPAC Name1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea
SMILESCc1[nH]nc(-c2ccsc2)c1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN4OS/c1-9-13(14(20-19-9)10-6-7-22-8-10)18-15(21)17-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyUCBUOUUDOSYZRD-UHFFFAOYSA-N
XLogP4.74
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide
CID 42874270
3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
CID 42874274
3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
CID 42687284
N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide
CID 42687275
1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276966
1-[4-(ethoxymethyl)phenyl]-3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)urea
CID 153390147
1-(4-chlorophenyl)-3-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)urea
CID 42687514
N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide
CID 42656651
1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
CID 42874354
1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea
CID 42687470
1-(4-chlorophenyl)-3-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]urea
CID 42874332
benzyl N-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]carbamate
CID 42685853

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea (CID 42687523) is 1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea is Cc1[nH]nc(-c2ccsc2)c1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea?
The InChIKey is UCBUOUUDOSYZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS/c1-9-13(14(20-19-9)10-6-7-22-8-10)18-15(21)17-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea?
1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea has a molecular weight of 332.82 g/mol, XLogP of 4.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 42687523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).