1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide

C20H20N4O2 — CID 95327410

IUPAC1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide
SMILESC[C@@H](CNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C20H20N4O2/c1-14(15-8-4-2-5-9-15)13-22-20(26)17-12-18(19(21)25)24(23-17)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H2,21,25)(H,22,26)/t14-/m0/s1
InChIKeyHNRARKBKFSKRRC-AWEZNQCLSA-N
MW348.41 g/mol
LogP2.50
Rot. Bonds6

About 1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide

1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide (PubChem CID 95327410) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide
PubChem CID95327410
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide
SMILESC[C@@H](CNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C20H20N4O2/c1-14(15-8-4-2-5-9-15)13-22-20(26)17-12-18(19(21)25)24(23-17)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H2,21,25)(H,22,26)/t14-/m0/s1
InChIKeyHNRARKBKFSKRRC-AWEZNQCLSA-N
XLogP2.50
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide
CID 119628077
3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 119431722
1-[[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544814
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 119659251
5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide
CID 55756841
3-[[2-cyclopropyl-2-(dimethylamino)ethyl]carbamoyl]-1-phenylpyrazole-5-carboxylic acid
CID 138001686
2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189809
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide
CID 41118456
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356
3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide
CID 119138871

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide?
The IUPAC name of 1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide (CID 95327410) is 1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide?
The canonical SMILES for 1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide is C[C@@H](CNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide?
The InChIKey is HNRARKBKFSKRRC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14(15-8-4-2-5-9-15)13-22-20(26)17-12-18(19(21)25)24(23-17)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H2,21,25)(H,22,26)/t14-/m0/s1.
What are the key properties of 1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide?
1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 95327410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).