N-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide

C13H19N5O2 — CID 122147798

IUPACN-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CC(=O)N(c2cn[nH]c2)C1)C1CCNC1
InChIInChI=1S/C13H19N5O2/c1-17(10-2-3-14-5-10)13(20)9-4-12(19)18(8-9)11-6-15-16-7-11/h6-7,9-10,14H,2-5,8H2,1H3,(H,15,16)
InChIKeyLENVGXVDFOKNLR-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.42
Rot. Bonds3

About N-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide

N-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide (PubChem CID 122147798) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
PubChem CID122147798
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CC(=O)N(c2cn[nH]c2)C1)C1CCNC1
InChIInChI=1S/C13H19N5O2/c1-17(10-2-3-14-5-10)13(20)9-4-12(19)18(8-9)11-6-15-16-7-11/h6-7,9-10,14H,2-5,8H2,1H3,(H,15,16)
InChIKeyLENVGXVDFOKNLR-UHFFFAOYSA-N
XLogP-0.42
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 136566998
1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119552395
(4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124697847
N-methyl-1-[(4-methylphenyl)methyl]-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119551929
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 120814064
1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119554715
(4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124698691
1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119444324
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43056773
(4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124690531
1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide
CID 119826415

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide (CID 122147798) is N-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide is CN(C(=O)C1CC(=O)N(c2cn[nH]c2)C1)C1CCNC1.
What is the InChIKey of N-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is LENVGXVDFOKNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-17(10-2-3-14-5-10)13(20)9-4-12(19)18(8-9)11-6-15-16-7-11/h6-7,9-10,14H,2-5,8H2,1H3,(H,15,16).
What are the key properties of N-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
N-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 277.33 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 122147798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).