1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide

C24H28N4O — CID 78873548

IUPAC1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC2CCN(c3ccccc3)C2)cnn1Cc1ccccc1
InChIInChI=1S/C24H28N4O/c1-2-23-22(16-26-28(23)18-19-9-5-3-6-10-19)24(29)25-15-20-13-14-27(17-20)21-11-7-4-8-12-21/h3-12,16,20H,2,13-15,17-18H2,1H3,(H,25,29)
InChIKeyVSBKMQTZDLNISE-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.75
Rot. Bonds7

About 1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 78873548) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID78873548
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC2CCN(c3ccccc3)C2)cnn1Cc1ccccc1
InChIInChI=1S/C24H28N4O/c1-2-23-22(16-26-28(23)18-19-9-5-3-6-10-19)24(29)25-15-20-13-14-27(17-20)21-11-7-4-8-12-21/h3-12,16,20H,2,13-15,17-18H2,1H3,(H,25,29)
InChIKeyVSBKMQTZDLNISE-UHFFFAOYSA-N
XLogP3.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 78873007
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 38442047
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503
2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525129
2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide
CID 55678741
1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide
CID 78872514
(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610594
1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 78872062
1-benzyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119557582

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide (CID 78873548) is 1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide is CCc1c(C(=O)NCC2CCN(c3ccccc3)C2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is VSBKMQTZDLNISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-2-23-22(16-26-28(23)18-19-9-5-3-6-10-19)24(29)25-15-20-13-14-27(17-20)21-11-7-4-8-12-21/h3-12,16,20H,2,13-15,17-18H2,1H3,(H,25,29).
What are the key properties of 1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 78873548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).