N-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide

C13H20N4O2 — CID 130365402

IUPACN-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
SMILESC[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(=O)[nH]n1C
InChIInChI=1S/C13H20N4O2/c1-8-6-17(9-3-4-9)7-10(8)14-13(19)11-5-12(18)15-16(11)2/h5,8-10H,3-4,6-7H2,1-2H3,(H,14,19)(H,15,18)/t8-,10+/m1/s1
InChIKeyWNXMAKHEYLZNQX-SCZZXKLOSA-N
MW264.33 g/mol
LogP-0.07
Rot. Bonds3

About N-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide

N-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide (PubChem CID 130365402) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
PubChem CID130365402
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
SMILESC[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(=O)[nH]n1C
InChIInChI=1S/C13H20N4O2/c1-8-6-17(9-3-4-9)7-10(8)14-13(19)11-5-12(18)15-16(11)2/h5,8-10H,3-4,6-7H2,1-2H3,(H,14,19)(H,15,18)/t8-,10+/m1/s1
InChIKeyWNXMAKHEYLZNQX-SCZZXKLOSA-N
XLogP-0.07
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 130365401
N-[(3S,4S)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 130375856
N-[(3S,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 130375857
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 146364073
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53514607
N-{(3S*,4R*)-1-[(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)carbonyl]-4-propyl-3-pyrrolidinyl}acetamide
CID 70782521
5-oxo-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108455673
2-methyl-5-(4-pyrrolidin-3-ylpiperazine-1-carbonyl)-1H-pyrazol-3-one
CID 167931296

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide (CID 130365402) is N-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide is C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(=O)[nH]n1C.
What is the InChIKey of N-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide?
The InChIKey is WNXMAKHEYLZNQX-SCZZXKLOSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-6-17(9-3-4-9)7-10(8)14-13(19)11-5-12(18)15-16(11)2/h5,8-10H,3-4,6-7H2,1-2H3,(H,14,19)(H,15,18)/t8-,10+/m1/s1.
What are the key properties of N-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide?
N-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 130365402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).