N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide

C23H27N5O2 — CID 135355495

IUPACN-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCN(c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C23H27N5O2/c1-17(29)24-11-19-8-9-27(13-19)22-10-23(30)26(2)16-21(22)20-12-25-28(15-20)14-18-6-4-3-5-7-18/h3-7,10,12,15-16,19H,8-9,11,13-14H2,1-2H3,(H,24,29)/t19-/m0/s1
InChIKeyPFGWLUNKVJVTPJ-IBGZPJMESA-N
MW405.50 g/mol
LogP2.26
Rot. Bonds6

About N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide

N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 135355495) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID135355495
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCN(c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C23H27N5O2/c1-17(29)24-11-19-8-9-27(13-19)22-10-23(30)26(2)16-21(22)20-12-25-28(15-20)14-18-6-4-3-5-7-18/h3-7,10,12,15-16,19H,8-9,11,13-14H2,1-2H3,(H,24,29)/t19-/m0/s1
InChIKeyPFGWLUNKVJVTPJ-IBGZPJMESA-N
XLogP2.26
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 844489
N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 1244086
(E)-N-(2-aminophenyl)-3-[1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]prop-2-enamide
CID 60198484
US9670157, 85 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-benzyl]-1H-pyrazole-4-carboxylic acid 4-aminomethyl-benzylamide
CID 86290349
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 89741711
N-[[4-(aminomethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 90280145
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
Ipazilide
CID 60650
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16189902
N-(3,4-difluorobenzyl)-3-{1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]piperidin-3-yl}propanamide
CID 16191462
N-(4-isopropylphenyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinamine
CID 24817215
1-[(2-fluorophenyl)methyl]-6-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24819201

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide (CID 135355495) is N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide is CC(=O)NC[C@@H]1CCN(c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)C1.
What is the InChIKey of N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is PFGWLUNKVJVTPJ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27N5O2/c1-17(29)24-11-19-8-9-27(13-19)22-10-23(30)26(2)16-21(22)20-12-25-28(15-20)14-18-6-4-3-5-7-18/h3-7,10,12,15-16,19H,8-9,11,13-14H2,1-2H3,(H,24,29)/t19-/m0/s1.
What are the key properties of N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide?
N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 135355495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).