3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea

C16H19ClN4O — CID 72933177

IUPAC3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea
SMILESCc1cc(Cl)ccc1NC(=O)N(C)Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C16H19ClN4O/c1-10-7-12(17)5-6-14(10)18-16(22)21(2)9-13-8-15(20-19-13)11-3-4-11/h5-8,11H,3-4,9H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyWEHSGNAFMFZVRX-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.91
Rot. Bonds4

About 3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea

3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea (PubChem CID 72933177) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea
PubChem CID72933177
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea
SMILESCc1cc(Cl)ccc1NC(=O)N(C)Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C16H19ClN4O/c1-10-7-12(17)5-6-14(10)18-16(22)21(2)9-13-8-15(20-19-13)11-3-4-11/h5-8,11H,3-4,9H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyWEHSGNAFMFZVRX-UHFFFAOYSA-N
XLogP3.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
CID 551912
3-(5-chloro-2-methylphenyl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea
CID 138047458
N-(2-acetamidophenyl)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]acetamide
CID 135118861
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide
CID 91760362
2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053133
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 47081306
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 108988864
N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738674
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136363
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea?
The IUPAC name of 3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea (CID 72933177) is 3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea?
The canonical SMILES for 3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea is Cc1cc(Cl)ccc1NC(=O)N(C)Cc1cc(C2CC2)n[nH]1.
What is the InChIKey of 3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea?
The InChIKey is WEHSGNAFMFZVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-10-7-12(17)5-6-14(10)18-16(22)21(2)9-13-8-15(20-19-13)11-3-4-11/h5-8,11H,3-4,9H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea?
3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea has a molecular weight of 318.81 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea is sourced from PubChem (CID 72933177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).