5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide

C22H23N5O2 — CID 155491458

IUPAC5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccccc2)c1C(=O)N(Cc1ccccn1)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C22H23N5O2/c1-15-20(21(26-25-15)16-7-3-2-4-8-16)22(29)27(13-17-9-5-6-12-23-17)14-18-10-11-19(28)24-18/h2-9,12,18H,10-11,13-14H2,1H3,(H,24,28)(H,25,26)/t18-/m0/s1
InChIKeyPVKHUNYHBMZPSX-SFHVURJKSA-N
MW389.46 g/mol
LogP2.70
Rot. Bonds6

About 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide

5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 155491458) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID155491458
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccccc2)c1C(=O)N(Cc1ccccn1)C[C@@H]1CCC(=O)N1
InChIInChI=1S/C22H23N5O2/c1-15-20(21(26-25-15)16-7-3-2-4-8-16)22(29)27(13-17-9-5-6-12-23-17)14-18-10-11-19(28)24-18/h2-9,12,18H,10-11,13-14H2,1H3,(H,24,28)(H,25,26)/t18-/m0/s1
InChIKeyPVKHUNYHBMZPSX-SFHVURJKSA-N
XLogP2.70
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide 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

5,6-dimethyl-2-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 70719764
2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 70725136
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide
CID 70736934
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503298
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea
CID 72850195
6-chloro-2-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 171387881
N-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 74232629
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 29087477
3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46978882
(5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 135102204
3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115097
4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 91833864

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide (CID 155491458) is 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide is Cc1[nH]nc(-c2ccccc2)c1C(=O)N(Cc1ccccn1)C[C@@H]1CCC(=O)N1.
What is the InChIKey of 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is PVKHUNYHBMZPSX-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-20(21(26-25-15)16-7-3-2-4-8-16)22(29)27(13-17-9-5-6-12-23-17)14-18-10-11-19(28)24-18/h2-9,12,18H,10-11,13-14H2,1H3,(H,24,28)(H,25,26)/t18-/m0/s1.
What are the key properties of 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide?
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 155491458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).