5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide

C13H16N6O2 — CID 110272288

IUPAC5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N2CCCC2c2[nH]ncc2C(N)=O)cn1
InChIInChI=1S/C13H16N6O2/c1-18-7-8(5-16-18)13(21)19-4-2-3-10(19)11-9(12(14)20)6-15-17-11/h5-7,10H,2-4H2,1H3,(H2,14,20)(H,15,17)
InChIKeyXDFIUIHZRSJFQU-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.22
Rot. Bonds3

About 5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide

5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 110272288) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID110272288
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N2CCCC2c2[nH]ncc2C(N)=O)cn1
InChIInChI=1S/C13H16N6O2/c1-18-7-8(5-16-18)13(21)19-4-2-3-10(19)11-9(12(14)20)6-15-17-11/h5-7,10H,2-4H2,1H3,(H2,14,20)(H,15,17)
InChIKeyXDFIUIHZRSJFQU-UHFFFAOYSA-N
XLogP0.22
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide (CID 110272288) is 5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide is Cn1cc(C(=O)N2CCCC2c2[nH]ncc2C(N)=O)cn1.
What is the InChIKey of 5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is XDFIUIHZRSJFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-18-7-8(5-16-18)13(21)19-4-2-3-10(19)11-9(12(14)20)6-15-17-11/h5-7,10H,2-4H2,1H3,(H2,14,20)(H,15,17).
What are the key properties of 5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110272288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).