3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea

C17H21ClN4O — CID 72929949

IUPAC3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCCc1cc(Cl)ccc1NC(=O)N(Cc1cnn(C)c1)C1CC1
InChIInChI=1S/C17H21ClN4O/c1-3-13-8-14(18)4-7-16(13)20-17(23)22(15-5-6-15)11-12-9-19-21(2)10-12/h4,7-10,15H,3,5-6,11H2,1-2H3,(H,20,23)
InChIKeyRIEQVBGBHSRBPE-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.83
Rot. Bonds5

About 3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea

3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 72929949) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID72929949
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCCc1cc(Cl)ccc1NC(=O)N(Cc1cnn(C)c1)C1CC1
InChIInChI=1S/C17H21ClN4O/c1-3-13-8-14(18)4-7-16(13)20-17(23)22(15-5-6-15)11-12-9-19-21(2)10-12/h4,7-10,15H,3,5-6,11H2,1-2H3,(H,20,23)
InChIKeyRIEQVBGBHSRBPE-UHFFFAOYSA-N
XLogP3.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 72872136
N-[(4-chloro-2-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 56700800
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024531
3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 56702352
1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 122565755
4-chloro-2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 114846489
N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35591649
1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 122566915
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56793753
5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 55051270
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 56790130
N-(3-chlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196114

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 72929949) is 3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea is CCc1cc(Cl)ccc1NC(=O)N(Cc1cnn(C)c1)C1CC1.
What is the InChIKey of 3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is RIEQVBGBHSRBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-3-13-8-14(18)4-7-16(13)20-17(23)22(15-5-6-15)11-12-9-19-21(2)10-12/h4,7-10,15H,3,5-6,11H2,1-2H3,(H,20,23).
What are the key properties of 3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 332.84 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 72929949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).