4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide

C9H12ClN3O — CID 19477175

IUPAC4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide
SMILESC=CCNC(=O)c1c(Cl)cnn1CC
InChIInChI=1S/C9H12ClN3O/c1-3-5-11-9(14)8-7(10)6-12-13(8)4-2/h3,6H,1,4-5H2,2H3,(H,11,14)
InChIKeyMBHLVUFRYMLYAI-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.47
Rot. Bonds4

About 4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide

4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide (PubChem CID 19477175) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide
PubChem CID19477175
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide
SMILESC=CCNC(=O)c1c(Cl)cnn1CC
InChIInChI=1S/C9H12ClN3O/c1-3-5-11-9(14)8-7(10)6-12-13(8)4-2/h3,6H,1,4-5H2,2H3,(H,11,14)
InChIKeyMBHLVUFRYMLYAI-UHFFFAOYSA-N
XLogP1.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)prop-2-en-1-one
CID 103453544
4-chloro-1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19477226
4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide
CID 4637238
4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19294474
4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 3321903
4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 841895
4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide
CID 19477154
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19477417
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130314
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(prop-2-enylamino)ethanone
CID 114670154
1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one
CID 115803895

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide (CID 19477175) is 4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide is C=CCNC(=O)c1c(Cl)cnn1CC.
What is the InChIKey of 4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide?
The InChIKey is MBHLVUFRYMLYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-3-5-11-9(14)8-7(10)6-12-13(8)4-2/h3,6H,1,4-5H2,2H3,(H,11,14).
What are the key properties of 4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide?
4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide has a molecular weight of 213.67 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide is sourced from PubChem (CID 19477175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).