5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide

C7H11N3O2 — CID 112513802

IUPAC5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C7H11N3O2/c1-4(2)8-7(12)5-3-6(11)10-9-5/h3-4H,1-2H3,(H,8,12)(H2,9,10,11)
InChIKeyWDQXXBSVGPARFB-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.16
Rot. Bonds2

About 5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide

5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide (PubChem CID 112513802) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide
PubChem CID112513802
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C7H11N3O2/c1-4(2)8-7(12)5-3-6(11)10-9-5/h3-4H,1-2H3,(H,8,12)(H2,9,10,11)
InChIKeyWDQXXBSVGPARFB-UHFFFAOYSA-N
XLogP-0.16
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-Hydroxy-N-methyl-1H-pyrazole-3-carboxamide
CID 45084132
3-hydroxy-1-methyl-1H-pyrazole-5-carbohydrazide
CID 2818541
1H-Pyrazol-5-ol, 3-methyl-1-(1-methylethyl)-
CID 12385114
4-Amino-1-ethyl-1H-pyrazol-5-ol
CID 15847213
5-(Methylaminomethyl)-1,2-dihydropyrazol-3-one
CID 20607212
2-(2-cyanoethyl)-N-ethyl-3-oxo-1H-pyrazole-5-carboxamide
CID 21501925
N-methyl-2-[3-(methylamino)-3-oxopropyl]-3-oxo-1H-pyrazole-5-carboxamide
CID 21501927
2-(2-cyanoethyl)-N-methyl-3-oxo-1H-pyrazole-5-carboxamide
CID 21501951
2-(5-methyl-3-oxo-1H-pyrazol-2-yl)acetamide
CID 21501955
N,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide
CID 24780684
4-amino-2-methyl-3-oxo-N-propyl-1H-pyrazole-5-carboxamide
CID 53913534
N-butyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 53992180

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of 5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide (CID 112513802) is 5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for 5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for 5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide is CC(C)NC(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of 5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is WDQXXBSVGPARFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4(2)8-7(12)5-3-6(11)10-9-5/h3-4H,1-2H3,(H,8,12)(H2,9,10,11).
What are the key properties of 5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide?
5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 112513802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).