3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea

C19H25ClN4O — CID 86970448

IUPAC3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea
SMILESCCN(C(=O)NCc1cnn(-c2ccc(Cl)cc2)c1)C1CCCCC1
InChIInChI=1S/C19H25ClN4O/c1-2-23(17-6-4-3-5-7-17)19(25)21-12-15-13-22-24(14-15)18-10-8-16(20)9-11-18/h8-11,13-14,17H,2-7,12H2,1H3,(H,21,25)
InChIKeyQDFHZODBLDSTGU-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.39
Rot. Bonds5

About 3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea

3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea (PubChem CID 86970448) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea.

Molecular Properties

Compound Name3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea
PubChem CID86970448
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea
SMILESCCN(C(=O)NCc1cnn(-c2ccc(Cl)cc2)c1)C1CCCCC1
InChIInChI=1S/C19H25ClN4O/c1-2-23(17-6-4-3-5-7-17)19(25)21-12-15-13-22-24(14-15)18-10-8-16(20)9-11-18/h8-11,13-14,17H,2-7,12H2,1H3,(H,21,25)
InChIKeyQDFHZODBLDSTGU-UHFFFAOYSA-N
XLogP4.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-[(2,6-difluorophenyl)methyl]-1-ethylurea
CID 86970061
4-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 86968271
4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 86970424
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 86970075
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methylhexanamide
CID 86968262
3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 86970017
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
CID 86970420
2-[[3-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041410
4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide
CID 86968466
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 86968538
4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962517
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 86968541

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea?
The IUPAC name of 3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea (CID 86970448) is 3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea.
What is the SMILES notation for 3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea?
The canonical SMILES for 3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea is CCN(C(=O)NCc1cnn(-c2ccc(Cl)cc2)c1)C1CCCCC1.
What is the InChIKey of 3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea?
The InChIKey is QDFHZODBLDSTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-2-23(17-6-4-3-5-7-17)19(25)21-12-15-13-22-24(14-15)18-10-8-16(20)9-11-18/h8-11,13-14,17H,2-7,12H2,1H3,(H,21,25).
What are the key properties of 3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea?
3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea has a molecular weight of 360.89 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-cyclohexyl-1-ethylurea is sourced from PubChem (CID 86970448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).