1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea

C16H19ClN4O2 — CID 75407713

IUPAC1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea
SMILESO=C(Nc1cnn(-c2ccccc2Cl)c1)NC1CCC(O)CC1
InChIInChI=1S/C16H19ClN4O2/c17-14-3-1-2-4-15(14)21-10-12(9-18-21)20-16(23)19-11-5-7-13(22)8-6-11/h1-4,9-11,13,22H,5-8H2,(H2,19,20,23)
InChIKeyVXSYWPZDOGAUDM-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.95
Rot. Bonds3

About 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea

1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea (PubChem CID 75407713) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea
PubChem CID75407713
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea
SMILESO=C(Nc1cnn(-c2ccccc2Cl)c1)NC1CCC(O)CC1
InChIInChI=1S/C16H19ClN4O2/c17-14-3-1-2-4-15(14)21-10-12(9-18-21)20-16(23)19-11-5-7-13(22)8-6-11/h1-4,9-11,13,22H,5-8H2,(H2,19,20,23)
InChIKeyVXSYWPZDOGAUDM-UHFFFAOYSA-N
XLogP2.95
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Chloro-2-pyrazol-1-ylphenyl)-3-(3-methoxypropyl)urea
CID 51085499
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864249
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864259
1-[1-(2-Chlorophenyl)pyrazol-4-yl]-3-(1-methylpiperidin-4-yl)urea
CID 72000962
1-[1-(2-Chlorophenyl)pyrazol-4-yl]-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 72000974
3-[[1-(2-chlorophenyl)pyrazol-4-yl]carbamoylamino]-N-propan-2-ylpropanamide
CID 72127263
1-(2-chlorophenyl)-3-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)urea
CID 71810269
1-(3-Chloro-4-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 56824179
2-[4-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 72110279
1-[1-(2-Chlorophenyl)pyrazol-4-yl]-3-(2,4-difluorophenyl)urea
CID 86895939
1-[1-(2-Chlorophenyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea
CID 86895940
1-[[1-(4-Fluorophenyl)pyrazol-3-yl]methyl]-3-(4-hydroxycyclohexyl)urea
CID 109894918

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea (CID 75407713) is 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea is O=C(Nc1cnn(-c2ccccc2Cl)c1)NC1CCC(O)CC1.
What is the InChIKey of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea?
The InChIKey is VXSYWPZDOGAUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c17-14-3-1-2-4-15(14)21-10-12(9-18-21)20-16(23)19-11-5-7-13(22)8-6-11/h1-4,9-11,13,22H,5-8H2,(H2,19,20,23).
What are the key properties of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea?
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea has a molecular weight of 334.81 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 75407713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).