1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxamide

C11H16N4O3 — CID 54877361

IUPAC1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C11H16N4O3/c1-5-9(6(2)14-13-5)11(18)15-4-7(16)3-8(15)10(12)17/h7-8,16H,3-4H2,1-2H3,(H2,12,17)(H,13,14)
InChIKeyWFJMAPXLBAOVHW-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.91
Rot. Bonds2

About 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxamide

1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 54877361) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID54877361
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C11H16N4O3/c1-5-9(6(2)14-13-5)11(18)15-4-7(16)3-8(15)10(12)17/h7-8,16H,3-4H2,1-2H3,(H2,12,17)(H,13,14)
InChIKeyWFJMAPXLBAOVHW-UHFFFAOYSA-N
XLogP-0.91
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxamide (CID 54877361) is 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxamide is Cc1n[nH]c(C)c1C(=O)N1CC(O)CC1C(N)=O.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is WFJMAPXLBAOVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-5-9(6(2)14-13-5)11(18)15-4-7(16)3-8(15)10(12)17/h7-8,16H,3-4H2,1-2H3,(H2,12,17)(H,13,14).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxamide?
1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 54877361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).