1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea

C16H13ClN4O — CID 35521242

IUPAC1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(-n2cc(Cl)cn2)cc1
InChIInChI=1S/C16H13ClN4O/c17-12-10-18-21(11-12)15-8-6-14(7-9-15)20-16(22)19-13-4-2-1-3-5-13/h1-11H,(H2,19,20,22)
InChIKeyRSGPTOPQHYOFBO-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.17
Rot. Bonds3

About 1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea

1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea (PubChem CID 35521242) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea
PubChem CID35521242
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(-n2cc(Cl)cn2)cc1
InChIInChI=1S/C16H13ClN4O/c17-12-10-18-21(11-12)15-8-6-14(7-9-15)20-16(22)19-13-4-2-1-3-5-13/h1-11H,(H2,19,20,22)
InChIKeyRSGPTOPQHYOFBO-UHFFFAOYSA-N
XLogP4.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
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N-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide
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N-[4-(4-chloropyrazol-1-yl)phenyl]formamide
CID 168653170
N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide
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1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 153390159
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-chloropyrazol-1-yl)phenyl]acetamide
CID 11899499
3-(4-chloropyrazol-1-yl)benzoic acid
CID 63942478
4-(4-chloropyrazol-1-yl)benzaldehyde
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1-(4-nitrophenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
CID 55840739
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CID 29097272

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea (CID 35521242) is 1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(-n2cc(Cl)cn2)cc1.
What is the InChIKey of 1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea?
The InChIKey is RSGPTOPQHYOFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-12-10-18-21(11-12)15-8-6-14(7-9-15)20-16(22)19-13-4-2-1-3-5-13/h1-11H,(H2,19,20,22).
What are the key properties of 1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea?
1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea has a molecular weight of 312.76 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 35521242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).