1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide

C28H29N3O — CID 143069487

IUPAC1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)N[C@@H](CC)c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C28H29N3O/c1-3-14-25-26(28(32)29-24(4-2)21-15-8-5-9-16-21)27(22-17-10-6-11-18-22)30-31(25)23-19-12-7-13-20-23/h5-13,15-20,24H,3-4,14H2,1-2H3,(H,29,32)/t24-/m0/s1
InChIKeyCSGOLVUNGISTPV-DEOSSOPVSA-N
MW423.56 g/mol
LogP6.37
Rot. Bonds8

About 1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide

1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide (PubChem CID 143069487) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is 1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide
PubChem CID143069487
Molecular FormulaC28H29N3O
Molecular Weight423.56 g/mol
Exact Mass423.23
IUPAC Name1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)N[C@@H](CC)c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C28H29N3O/c1-3-14-25-26(28(32)29-24(4-2)21-15-8-5-9-16-21)27(22-17-10-6-11-18-22)30-31(25)23-19-12-7-13-20-23/h5-13,15-20,24H,3-4,14H2,1-2H3,(H,29,32)/t24-/m0/s1
InChIKeyCSGOLVUNGISTPV-DEOSSOPVSA-N
XLogP6.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid
CID 3796959
3-amino-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10762413
N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477580
1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3844950
N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281297
5-ethyl-1,3-diphenyl-N-(2-phenylbutan-2-yl)pyrazole-4-carboxamide
CID 143069836
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 834464
N-[1-(1-adamantyl)propyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473397
2-phenyl-N-[(1S)-1-phenylpropyl]-3-(tritritiomethoxy)quinoline-4-carboxamide
CID 25261797
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide?
The IUPAC name of 1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide (CID 143069487) is 1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for 1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide?
The canonical SMILES for 1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)N[C@@H](CC)c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide?
The InChIKey is CSGOLVUNGISTPV-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H29N3O/c1-3-14-25-26(28(32)29-24(4-2)21-15-8-5-9-16-21)27(22-17-10-6-11-18-22)30-31(25)23-19-12-7-13-20-23/h5-13,15-20,24H,3-4,14H2,1-2H3,(H,29,32)/t24-/m0/s1.
What are the key properties of 1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide?
1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 6.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-N-[(1S)-1-phenylpropyl]-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 143069487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).