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

C10H9ClN4O — CID 43430035

IUPAC1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cn[nH]c1
InChIInChI=1S/C10H9ClN4O/c11-7-1-3-8(4-2-7)14-10(16)15-9-5-12-13-6-9/h1-6H,(H,12,13)(H2,14,15,16)
InChIKeyHTGBTBGQPYKCHB-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.71
Rot. Bonds2

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

1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea (PubChem CID 43430035) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
PubChem CID43430035
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cn[nH]c1
InChIInChI=1S/C10H9ClN4O/c11-7-1-3-8(4-2-7)14-10(16)15-9-5-12-13-6-9/h1-6H,(H,12,13)(H2,14,15,16)
InChIKeyHTGBTBGQPYKCHB-UHFFFAOYSA-N
XLogP2.71
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 61341794
1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430028
1-(4-chloro-3-nitrophenyl)-3-(1H-pyrazol-4-yl)urea
CID 60577073
3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide
CID 43430717
1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea
CID 113238275
cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 95760685
1-[4-(4-chlorophenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135223401
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide
CID 60859843
3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide
CID 71937459

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea (CID 43430035) is 1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea is O=C(Nc1ccc(Cl)cc1)Nc1cn[nH]c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea?
The InChIKey is HTGBTBGQPYKCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-7-1-3-8(4-2-7)14-10(16)15-9-5-12-13-6-9/h1-6H,(H,12,13)(H2,14,15,16).
What are the key properties of 1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea?
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea has a molecular weight of 236.66 g/mol, XLogP of 2.71, 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-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 43430035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).