trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide

C20H19N3O — CID 35533273

IUPACtrans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccn(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)n1
InChIInChI=1S/C20H19N3O/c1-14-11-12-23(22-14)17-9-7-16(8-10-17)21-20(24)19-13-18(19)15-5-3-2-4-6-15/h2-12,18-19H,13H2,1H3,(H,21,24)/t18-,19+/m0/s1
InChIKeyHXTKWCPTYQEYIW-RBUKOAKNSA-N
MW317.39 g/mol
LogP3.92
Rot. Bonds4

About trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 35533273) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID35533273
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Nametrans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccn(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)n1
InChIInChI=1S/C20H19N3O/c1-14-11-12-23(22-14)17-9-7-16(8-10-17)21-20(24)19-13-18(19)15-5-3-2-4-6-15/h2-12,18-19H,13H2,1H3,(H,21,24)/t18-,19+/m0/s1
InChIKeyHXTKWCPTYQEYIW-RBUKOAKNSA-N
XLogP3.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 45154230
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798
2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
CID 631039
N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide
CID 45154182
N-[4-(3-methylpyrazol-1-yl)phenyl]pyridine-2-carboxamide
CID 16764916
cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 11902701
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 110627179
N-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide
CID 166408337
trans-(1R,2R)-N-[4-[5-(3,4-dichlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 93113700
2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977154

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide (CID 35533273) is trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide is Cc1ccn(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)n1.
What is the InChIKey of trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is HXTKWCPTYQEYIW-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14-11-12-23(22-14)17-9-7-16(8-10-17)21-20(24)19-13-18(19)15-5-3-2-4-6-15/h2-12,18-19H,13H2,1H3,(H,21,24)/t18-,19+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 35533273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).