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

C11H11ClN4O — CID 113238275

IUPAC1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea
SMILESCc1cn[nH]c1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN4O/c1-7-6-13-16-10(7)15-11(17)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H3,13,14,15,16,17)
InChIKeyPWINEFFSGSJQFX-UHFFFAOYSA-N
MW250.69 g/mol
LogP3.02
Rot. Bonds2

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

1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea (PubChem CID 113238275) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea
PubChem CID113238275
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea
SMILESCc1cn[nH]c1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN4O/c1-7-6-13-16-10(7)15-11(17)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H3,13,14,15,16,17)
InChIKeyPWINEFFSGSJQFX-UHFFFAOYSA-N
XLogP3.02
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 113236911
2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
1-methyl-3-(4-methyl-1H-pyrazol-5-yl)urea
CID 104620558
4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide
CID 115663401
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 112691373
1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
CID 110755160
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
CID 115630356
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691460
3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate
CID 7657756

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea (CID 113238275) is 1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea is Cc1cn[nH]c1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea?
The InChIKey is PWINEFFSGSJQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-7-6-13-16-10(7)15-11(17)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H3,13,14,15,16,17).
What are the key properties of 1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea?
1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea has a molecular weight of 250.69 g/mol, XLogP of 3.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea is sourced from PubChem (CID 113238275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).