3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide

C13H20N4O2 — CID 54867695

IUPAC3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC(C)CN1CCCC1=O
InChIInChI=1S/C13H20N4O2/c1-8(7-17-6-4-5-11(17)18)14-13(19)12-9(2)15-16-10(12)3/h8H,4-7H2,1-3H3,(H,14,19)(H,15,16)
InChIKeyKCNYSDYEFKCPSF-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.77
Rot. Bonds4

About 3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 54867695) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID54867695
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC(C)CN1CCCC1=O
InChIInChI=1S/C13H20N4O2/c1-8(7-17-6-4-5-11(17)18)14-13(19)12-9(2)15-16-10(12)3/h8H,4-7H2,1-3H3,(H,14,19)(H,15,16)
InChIKeyKCNYSDYEFKCPSF-UHFFFAOYSA-N
XLogP0.77
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 62808619
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2H-triazole-4-carboxamide
CID 112733895
6-oxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyridine-2-carboxamide
CID 107362990
1-cyclobutyl-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 136524316
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 61062526
4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60928640
3-bromo-2-methyl-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 97054372
4-fluoro-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 115745779
6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid
CID 65286168
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107854505
2-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66375513

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide (CID 54867695) is 3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NC(C)CN1CCCC1=O.
What is the InChIKey of 3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is KCNYSDYEFKCPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(7-17-6-4-5-11(17)18)14-13(19)12-9(2)15-16-10(12)3/h8H,4-7H2,1-3H3,(H,14,19)(H,15,16).
What are the key properties of 3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54867695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).