N-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide

C11H11N5O2 — CID 167766294

IUPACN-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cnc(C3CC3)nc2)=NN1
InChIInChI=1S/C11H11N5O2/c17-9-3-8(15-16-9)11(18)14-7-4-12-10(13-5-7)6-1-2-6/h4-6H,1-3H2,(H,14,18)(H,16,17)
InChIKeyNFNVKQJAFKHBQD-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.17
Rot. Bonds3

About N-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide

N-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide (PubChem CID 167766294) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
PubChem CID167766294
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC NameN-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cnc(C3CC3)nc2)=NN1
InChIInChI=1S/C11H11N5O2/c17-9-3-8(15-16-9)11(18)14-7-4-12-10(13-5-7)6-1-2-6/h4-6H,1-3H2,(H,14,18)(H,16,17)
InChIKeyNFNVKQJAFKHBQD-UHFFFAOYSA-N
XLogP0.17
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The IUPAC name of N-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide (CID 167766294) is N-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide is O=C1CC(C(=O)Nc2cnc(C3CC3)nc2)=NN1.
What is the InChIKey of N-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The InChIKey is NFNVKQJAFKHBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c17-9-3-8(15-16-9)11(18)14-7-4-12-10(13-5-7)6-1-2-6/h4-6H,1-3H2,(H,14,18)(H,16,17).
What are the key properties of N-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
N-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 167766294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).