1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea

C19H17ClN4O — CID 99810590

IUPAC1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea
SMILESO=C(Nc1ccn(-c2ccccc2)n1)N[C@H]1C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C19H17ClN4O/c20-14-6-4-5-13(11-14)16-12-17(16)21-19(25)22-18-9-10-24(23-18)15-7-2-1-3-8-15/h1-11,16-17H,12H2,(H2,21,22,23,25)/t16-,17+/m1/s1
InChIKeyAEELIOIYEXJNHI-SJORKVTESA-N
MW352.83 g/mol
LogP4.20
Rot. Bonds4

About 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea

1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea (PubChem CID 99810590) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea
PubChem CID99810590
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea
SMILESO=C(Nc1ccn(-c2ccccc2)n1)N[C@H]1C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C19H17ClN4O/c20-14-6-4-5-13(11-14)16-12-17(16)21-19(25)22-18-9-10-24(23-18)15-7-2-1-3-8-15/h1-11,16-17H,12H2,(H2,21,22,23,25)/t16-,17+/m1/s1
InChIKeyAEELIOIYEXJNHI-SJORKVTESA-N
XLogP4.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]urea
CID 99810588
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]urea
CID 99810586
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-phenylcyclopropyl)urea
CID 10404791
1-[(3R)-2-oxopiperidin-3-yl]-3-(1-phenylpyrazol-3-yl)urea
CID 95291015
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 122139781
1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea
CID 111456067
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 95775493
4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide
CID 46107035
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-4-hydroxy-3,5-dimethoxybenzamide
CID 122149915
2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55548071
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
CID 166359275
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea (CID 99810590) is 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea is O=C(Nc1ccn(-c2ccccc2)n1)N[C@H]1C[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea?
The InChIKey is AEELIOIYEXJNHI-SJORKVTESA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-14-6-4-5-13(11-14)16-12-17(16)21-19(25)22-18-9-10-24(23-18)15-7-2-1-3-8-15/h1-11,16-17H,12H2,(H2,21,22,23,25)/t16-,17+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea?
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea has a molecular weight of 352.83 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-(1-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 99810590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).