1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide

C13H20N4O2 — CID 42352840

IUPAC1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C13H20N4O2/c1-10-11(9-16(2)15-10)13(19)14-6-4-8-17-7-3-5-12(17)18/h9H,3-8H2,1-2H3,(H,14,19)
InChIKeyKCPLGZHKJRQTNB-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.47
Rot. Bonds5

About 1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide

1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide (PubChem CID 42352840) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide
PubChem CID42352840
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C13H20N4O2/c1-10-11(9-16(2)15-10)13(19)14-6-4-8-17-7-3-5-12(17)18/h9H,3-8H2,1-2H3,(H,14,19)
InChIKeyKCPLGZHKJRQTNB-UHFFFAOYSA-N
XLogP0.47
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 665356
Pyrazole-3,4-dicarboxamide, N,N',1-trimethyl-
CID 210532
Etipirol
CID 166751
1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl-
CID 175787
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415439
Pyrazole-3,4-dicarboxamide, 1-allyl-N,N'-dimethyl-
CID 202601
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19398373
N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474450
4-amino-1-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 19620467
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
CID 51075762

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide (CID 42352840) is 1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NCCCN1CCCC1=O.
What is the InChIKey of 1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide?
The InChIKey is KCPLGZHKJRQTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-11(9-16(2)15-10)13(19)14-6-4-8-17-7-3-5-12(17)18/h9H,3-8H2,1-2H3,(H,14,19).
What are the key properties of 1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide?
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 42352840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).