1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide

C16H21N5O2 — CID 39888789

IUPAC1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCCN2CCCC2=O)c1-n1cccc1
InChIInChI=1S/C16H21N5O2/c1-19-16(21-8-2-3-9-21)13(12-18-19)15(23)17-7-5-11-20-10-4-6-14(20)22/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,17,23)
InChIKeyODZRPMBKMJGILQ-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.95
Rot. Bonds6

About 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide

1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 39888789) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID39888789
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCCN2CCCC2=O)c1-n1cccc1
InChIInChI=1S/C16H21N5O2/c1-19-16(21-8-2-3-9-21)13(12-18-19)15(23)17-7-5-11-20-10-4-6-14(20)22/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,17,23)
InChIKeyODZRPMBKMJGILQ-UHFFFAOYSA-N
XLogP0.95
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915361
4-chloro-1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-5-carboxamide
CID 6464749
N-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 47028243
N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38028641
1-(3-chlorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 30892237
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788833
4-[[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 100634698
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 35991644
2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide
CID 70740259

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 39888789) is 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)NCCCN2CCCC2=O)c1-n1cccc1.
What is the InChIKey of 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is ODZRPMBKMJGILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-19-16(21-8-2-3-9-21)13(12-18-19)15(23)17-7-5-11-20-10-4-6-14(20)22/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,17,23).
What are the key properties of 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 39888789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).