5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide

C29H25N3O — CID 57222827

IUPAC5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide
SMILESC[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1
InChIInChI=1S/C29H25N3O/c1-21(18-22-10-4-2-5-11-22)30-29(33)27-20-28(32(31-27)26-14-6-3-7-15-26)25-17-16-23-12-8-9-13-24(23)19-25/h2-17,19-21H,18H2,1H3,(H,30,33)/t21-/m0/s1
InChIKeyRBUXDWDVRBCINP-NRFANRHFSA-N
MW431.54 g/mol
LogP6.05
Rot. Bonds6

About 5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide

5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide (PubChem CID 57222827) has the molecular formula C29H25N3O and a molecular weight of 431.54 g/mol. Its IUPAC name is 5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide
PubChem CID57222827
Molecular FormulaC29H25N3O
Molecular Weight431.54 g/mol
Exact Mass431.20
IUPAC Name5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide
SMILESC[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1
InChIInChI=1S/C29H25N3O/c1-21(18-22-10-4-2-5-11-22)30-29(33)27-20-28(32(31-27)26-14-6-3-7-15-26)25-17-16-23-12-8-9-13-24(23)19-25/h2-17,19-21H,18H2,1H3,(H,30,33)/t21-/m0/s1
InChIKeyRBUXDWDVRBCINP-NRFANRHFSA-N
XLogP6.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide (CID 57222827) is 5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide is C[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1.
What is the InChIKey of 5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide?
The InChIKey is RBUXDWDVRBCINP-NRFANRHFSA-N. The full InChI is InChI=1S/C29H25N3O/c1-21(18-22-10-4-2-5-11-22)30-29(33)27-20-28(32(31-27)26-14-6-3-7-15-26)25-17-16-23-12-8-9-13-24(23)19-25/h2-17,19-21H,18H2,1H3,(H,30,33)/t21-/m0/s1.
What are the key properties of 5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide?
5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-1-phenyl-N-[(2S)-1-phenylpropan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 57222827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).