1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea

C13H15ClN4O — CID 104620440

IUPAC1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea
SMILESCCCc1cc(NC(=O)Nc2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C13H15ClN4O/c1-2-4-11-8-12(18-17-11)16-13(19)15-10-6-3-5-9(14)7-10/h3,5-8H,2,4H2,1H3,(H3,15,16,17,18,19)
InChIKeyWEBXMIRLYIIQRH-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.66
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea

1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea (PubChem CID 104620440) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea
PubChem CID104620440
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea
SMILESCCCc1cc(NC(=O)Nc2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C13H15ClN4O/c1-2-4-11-8-12(18-17-11)16-13(19)15-10-6-3-5-9(14)7-10/h3,5-8H,2,4H2,1H3,(H3,15,16,17,18,19)
InChIKeyWEBXMIRLYIIQRH-UHFFFAOYSA-N
XLogP3.66
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620378
2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619750
1-(3-methylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 55262140
N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 36709127
1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
CID 17096715
N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide
CID 112680470
1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 63818723
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 115621073
4-chloro-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 113234268
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea (CID 104620440) is 1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea is CCCc1cc(NC(=O)Nc2cccc(Cl)c2)n[nH]1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea?
The InChIKey is WEBXMIRLYIIQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-2-4-11-8-12(18-17-11)16-13(19)15-10-6-3-5-9(14)7-10/h3,5-8H,2,4H2,1H3,(H3,15,16,17,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea?
1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea has a molecular weight of 278.74 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 104620440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).