1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea

C16H17ClF2N4O — CID 136554209

IUPAC1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea
SMILESCc1cc(NC(=O)NCCC2CC2(F)F)nn1-c1cccc(Cl)c1
InChIInChI=1S/C16H17ClF2N4O/c1-10-7-14(22-23(10)13-4-2-3-12(17)8-13)21-15(24)20-6-5-11-9-16(11,18)19/h2-4,7-8,11H,5-6,9H2,1H3,(H2,20,21,22,24)
InChIKeyWMVBXIGKBQIIRG-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.00
Rot. Bonds5

About 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea

1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea (PubChem CID 136554209) has the molecular formula C16H17ClF2N4O and a molecular weight of 354.79 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea
PubChem CID136554209
Molecular FormulaC16H17ClF2N4O
Molecular Weight354.79 g/mol
Exact Mass354.11
IUPAC Name1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea
SMILESCc1cc(NC(=O)NCCC2CC2(F)F)nn1-c1cccc(Cl)c1
InChIInChI=1S/C16H17ClF2N4O/c1-10-7-14(22-23(10)13-4-2-3-12(17)8-13)21-15(24)20-6-5-11-9-16(11,18)19/h2-4,7-8,11H,5-6,9H2,1H3,(H2,20,21,22,24)
InChIKeyWMVBXIGKBQIIRG-UHFFFAOYSA-N
XLogP4.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]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-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
CID 75483645
(3aS,6aR)-2-[[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122089077
1-tert-butyl-N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]triazole-4-carboxamide
CID 126810236
1-[[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102762
4-[[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]carbamoylamino]butanoic acid
CID 122089041
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea
CID 166237459
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19337089
2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
CID 120517696
2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82419701
1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea
CID 154737436
1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110373019

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea?
The IUPAC name of 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea (CID 136554209) is 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea?
The canonical SMILES for 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea is Cc1cc(NC(=O)NCCC2CC2(F)F)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea?
The InChIKey is WMVBXIGKBQIIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N4O/c1-10-7-14(22-23(10)13-4-2-3-12(17)8-13)21-15(24)20-6-5-11-9-16(11,18)19/h2-4,7-8,11H,5-6,9H2,1H3,(H2,20,21,22,24).
What are the key properties of 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea?
1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea has a molecular weight of 354.79 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea is sourced from PubChem (CID 136554209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).