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

C17H21ClN4O2 — CID 146135202

IUPAC1-[1-(4-chlorophenyl)pyrazol-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea
SMILESCOC(C)(CNC(=O)Nc1ccn(-c2ccc(Cl)cc2)n1)C1CC1
InChIInChI=1S/C17H21ClN4O2/c1-17(24-2,12-3-4-12)11-19-16(23)20-15-9-10-22(21-15)14-7-5-13(18)6-8-14/h5-10,12H,3-4,11H2,1-2H3,(H2,19,20,21,23)
InChIKeyZSBSEWHZFFVVRJ-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.46
Rot. Bonds6

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

1-[1-(4-chlorophenyl)pyrazol-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea (PubChem CID 146135202) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)pyrazol-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)pyrazol-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea
PubChem CID146135202
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name1-[1-(4-chlorophenyl)pyrazol-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea
SMILESCOC(C)(CNC(=O)Nc1ccn(-c2ccc(Cl)cc2)n1)C1CC1
InChIInChI=1S/C17H21ClN4O2/c1-17(24-2,12-3-4-12)11-19-16(23)20-15-9-10-22(21-15)14-7-5-13(18)6-8-14/h5-10,12H,3-4,11H2,1-2H3,(H2,19,20,21,23)
InChIKeyZSBSEWHZFFVVRJ-UHFFFAOYSA-N
XLogP3.46
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea
CID 167976831
N-(2-cyclopropyl-2-methoxypropyl)-3-(2,6-dichlorophenyl)triazole-4-carboxamide
CID 139004724
4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide
CID 46107035
4-(4-chlorophenyl)-N-(1-phenylpyrazol-3-yl)butanamide
CID 55775808
methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate
CID 2764302
1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea
CID 166360065
N-[1-(4-chlorophenyl)pyrazol-3-yl]-2,4-difluorobenzamide
CID 46107029
2-(aminomethyl)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
CID 166395027
2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55548071
(2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide
CID 95156985
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea
CID 99810590
1-[(1S)-1-cyclopropylethyl]-3-[1-[4-(3,3-difluoro-1-hydroxycyclobutyl)phenyl]pyrazol-3-yl]urea
CID 178134713

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)pyrazol-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)pyrazol-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea (CID 146135202) is 1-[1-(4-chlorophenyl)pyrazol-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)pyrazol-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)pyrazol-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea is COC(C)(CNC(=O)Nc1ccn(-c2ccc(Cl)cc2)n1)C1CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)pyrazol-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea?
The InChIKey is ZSBSEWHZFFVVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-17(24-2,12-3-4-12)11-19-16(23)20-15-9-10-22(21-15)14-7-5-13(18)6-8-14/h5-10,12H,3-4,11H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 1-[1-(4-chlorophenyl)pyrazol-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea?
1-[1-(4-chlorophenyl)pyrazol-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea has a molecular weight of 348.83 g/mol, XLogP of 3.46, 6 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-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea is sourced from PubChem (CID 146135202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).