1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea

C19H28ClN5O — CID 86970383

IUPAC1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
SMILESCC(C)CC(CN(C)C)NC(=O)NCc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H28ClN5O/c1-14(2)9-17(13-24(3)4)23-19(26)21-10-15-11-22-25(12-15)18-7-5-16(20)6-8-18/h5-8,11-12,14,17H,9-10,13H2,1-4H3,(H2,21,23,26)
InChIKeyFYCSQNAHQVKBAC-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.30
Rot. Bonds8

About 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea

1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea (PubChem CID 86970383) has the molecular formula C19H28ClN5O and a molecular weight of 377.92 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
PubChem CID86970383
Molecular FormulaC19H28ClN5O
Molecular Weight377.92 g/mol
Exact Mass377.20
IUPAC Name1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
SMILESCC(C)CC(CN(C)C)NC(=O)NCc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H28ClN5O/c1-14(2)9-17(13-24(3)4)23-19(26)21-10-15-11-22-25(12-15)18-7-5-16(20)6-8-18/h5-8,11-12,14,17H,9-10,13H2,1-4H3,(H2,21,23,26)
InChIKeyFYCSQNAHQVKBAC-UHFFFAOYSA-N
XLogP3.30
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-[4-(dimethylamino)phenyl]ethyl]urea
CID 86969964
1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine
CID 119122223
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(1-phenyltetrazol-5-yl)ethyl]urea
CID 86969996
1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea
CID 87000345
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 86968649
N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 86970018
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methylhexanamide
CID 86968262
1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94029140
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111581092
4-chloro-N-[3-methyl-1-oxo-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide
CID 24609791
1-(4-chlorophenyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78879698
4-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 86968271

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea?
The IUPAC name of 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea (CID 86970383) is 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea?
The canonical SMILES for 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea is CC(C)CC(CN(C)C)NC(=O)NCc1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea?
The InChIKey is FYCSQNAHQVKBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN5O/c1-14(2)9-17(13-24(3)4)23-19(26)21-10-15-11-22-25(12-15)18-7-5-16(20)6-8-18/h5-8,11-12,14,17H,9-10,13H2,1-4H3,(H2,21,23,26).
What are the key properties of 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea?
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea has a molecular weight of 377.92 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea is sourced from PubChem (CID 86970383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).