1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide

C18H17N3O — CID 27660239

IUPAC1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C18H17N3O/c1-14(15-8-4-2-5-9-15)20-18(22)16-12-19-21(13-16)17-10-6-3-7-11-17/h2-14H,1H3,(H,20,22)/t14-/m0/s1
InChIKeyIGTPGJYYYNBORT-AWEZNQCLSA-N
MW291.35 g/mol
LogP3.36
Rot. Bonds4

About 1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide

1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide (PubChem CID 27660239) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
PubChem CID27660239
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C18H17N3O/c1-14(15-8-4-2-5-9-15)20-18(22)16-12-19-21(13-16)17-10-6-3-7-11-17/h2-14H,1H3,(H,20,22)/t14-/m0/s1
InChIKeyIGTPGJYYYNBORT-AWEZNQCLSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
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CID 92538494
N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 46582044
N-[1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 24625573
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 51646823
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55808093
1-(4-nitrophenyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
CID 55840739
N-(1-chlorobutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 114294313
2-[3-[(1R)-1-[(1-phenylpyrazole-4-carbonyl)amino]ethyl]-1H-1,2,4-triazol-5-yl]acetic acid
CID 126425392
N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide
CID 64541460
2-bromo-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 43144160

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide (CID 27660239) is 1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide is C[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide?
The InChIKey is IGTPGJYYYNBORT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17N3O/c1-14(15-8-4-2-5-9-15)20-18(22)16-12-19-21(13-16)17-10-6-3-7-11-17/h2-14H,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide?
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 27660239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).