N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

C23H29N5O3 — CID 124965902

IUPACN-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCN1C[C@@H](C(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N(C)Cc3ccccc3)C2)CC1=O
InChIInChI=1S/C23H29N5O3/c1-26-14-18(11-20(26)29)22(30)28-10-6-9-17(15-28)21-19(12-24-25-21)23(31)27(2)13-16-7-4-3-5-8-16/h3-5,7-8,12,17-18H,6,9-11,13-15H2,1-2H3,(H,24,25)/t17-,18+/m1/s1
InChIKeyIIGMDHIKIAUQJO-MSOLQXFVSA-N
MW423.52 g/mol
LogP1.87
Rot. Bonds5

About N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 124965902) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID124965902
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC NameN-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCN1C[C@@H](C(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N(C)Cc3ccccc3)C2)CC1=O
InChIInChI=1S/C23H29N5O3/c1-26-14-18(11-20(26)29)22(30)28-10-6-9-17(15-28)21-19(12-24-25-21)23(31)27(2)13-16-7-4-3-5-8-16/h3-5,7-8,12,17-18H,6,9-11,13-15H2,1-2H3,(H,24,25)/t17-,18+/m1/s1
InChIKeyIIGMDHIKIAUQJO-MSOLQXFVSA-N
XLogP1.87
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
N-benzyl-5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110083044
N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 124961073
N-benzyl-N-methyl-5-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95805304
N-benzyl-5-[(3S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805312
N-benzyl-N-methyl-5-[(3S)-1-[2-(methylamino)pyridine-4-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 125007348
N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124955098
N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124998845
(4S)-4-(4-benzyl-1,4-diazepane-1-carbonyl)-1-methylpyrrolidin-2-one
CID 94092803
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 95844950
5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 110083029
N-benzyl-5-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110088134

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (CID 124965902) is N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is CN1C[C@@H](C(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N(C)Cc3ccccc3)C2)CC1=O.
What is the InChIKey of N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is IIGMDHIKIAUQJO-MSOLQXFVSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-26-14-18(11-20(26)29)22(30)28-10-6-9-17(15-28)21-19(12-24-25-21)23(31)27(2)13-16-7-4-3-5-8-16/h3-5,7-8,12,17-18H,6,9-11,13-15H2,1-2H3,(H,24,25)/t17-,18+/m1/s1.
What are the key properties of N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 124965902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).