5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide

C24H23N5O — CID 99817467

IUPAC5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C24H23N5O/c1-17(19-6-5-9-21(14-19)28-13-12-25-16-28)27-24(30)22-15-26-29(23(22)18-10-11-18)20-7-3-2-4-8-20/h2-9,12-18H,10-11H2,1H3,(H,27,30)/t17-/m0/s1
InChIKeyLIHLVXQYECWHDQ-KRWDZBQOSA-N
MW397.48 g/mol
LogP4.43
Rot. Bonds6

About 5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide

5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 99817467) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID99817467
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C24H23N5O/c1-17(19-6-5-9-21(14-19)28-13-12-25-16-28)27-24(30)22-15-26-29(23(22)18-10-11-18)20-7-3-2-4-8-20/h2-9,12-18H,10-11H2,1H3,(H,27,30)/t17-/m0/s1
InChIKeyLIHLVXQYECWHDQ-KRWDZBQOSA-N
XLogP4.43
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-1-phenyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
CID 112827858
N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
CID 175743937
N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120505954
5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42949053
(3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 95969150
1-[(2S)-butan-2-yl]-5-cyclopropyl-N-(3-imidazol-1-ylphenyl)pyrazole-4-carboxamide
CID 124568585
(2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637803
(3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 95969134
N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
CID 119899645
2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 86806189
5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46589003
3-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95969130

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide (CID 99817467) is 5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide is C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)c1cccc(-n2ccnc2)c1.
What is the InChIKey of 5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is LIHLVXQYECWHDQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23N5O/c1-17(19-6-5-9-21(14-19)28-13-12-25-16-28)27-24(30)22-15-26-29(23(22)18-10-11-18)20-7-3-2-4-8-20/h2-9,12-18H,10-11H2,1H3,(H,27,30)/t17-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 99817467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).