1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide

C9H11N3O2 — CID 143383450

IUPAC1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide
SMILESC=CCc1c(C(=O)N=O)c(C)nn1C
InChIInChI=1S/C9H11N3O2/c1-4-5-7-8(9(13)11-14)6(2)10-12(7)3/h4H,1,5H2,2-3H3
InChIKeyFRXQDDRZTURRHH-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.36
Rot. Bonds3

About 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide

1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide (PubChem CID 143383450) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide
PubChem CID143383450
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide
SMILESC=CCc1c(C(=O)N=O)c(C)nn1C
InChIInChI=1S/C9H11N3O2/c1-4-5-7-8(9(13)11-14)6(2)10-12(7)3/h4H,1,5H2,2-3H3
InChIKeyFRXQDDRZTURRHH-UHFFFAOYSA-N
XLogP1.36
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethyl-1,3-dimethylpyrazol-4-yl)ethanone
CID 143368389
1-(4-bromo-1,3-dimethylpyrazol-5-yl)pent-4-en-2-one
CID 116659405
1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-1-one
CID 105104374
4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole
CID 143740870
1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-2-one
CID 105083092
4-[(1E)-1-fluorobuta-1,3-dienyl]-1,3,5-trimethylpyrazole
CID 143740724
1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-one
CID 105104474
prop-2-enyl 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-5-methyltriazole-4-carboxylate
CID 103114265
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate
CID 43037192
(1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine
CID 143740810
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethanone
CID 107187121
(Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one
CID 103970874

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide (CID 143383450) is 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide is C=CCc1c(C(=O)N=O)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide?
The InChIKey is FRXQDDRZTURRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-4-5-7-8(9(13)11-14)6(2)10-12(7)3/h4H,1,5H2,2-3H3.
What are the key properties of 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide?
1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide has a molecular weight of 193.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-oxo-5-prop-2-enylpyrazole-4-carboxamide is sourced from PubChem (CID 143383450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).