4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide

C14H14ClN3O — CID 4637238

IUPAC4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide
SMILESC=CCNC(=O)c1c(Cl)cnn1-c1ccc(C)cc1
InChIInChI=1S/C14H14ClN3O/c1-3-8-16-14(19)13-12(15)9-17-18(13)11-6-4-10(2)5-7-11/h3-7,9H,1,8H2,2H3,(H,16,19)
InChIKeyOKQYTWMZMJUIHX-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.75
Rot. Bonds4

About 4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide

4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide (PubChem CID 4637238) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide
PubChem CID4637238
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide
SMILESC=CCNC(=O)c1c(Cl)cnn1-c1ccc(C)cc1
InChIInChI=1S/C14H14ClN3O/c1-3-8-16-14(19)13-12(15)9-17-18(13)11-6-4-10(2)5-7-11/h3-7,9H,1,8H2,2H3,(H,16,19)
InChIKeyOKQYTWMZMJUIHX-UHFFFAOYSA-N
XLogP2.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.75
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

4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide
CID 19477175
1-(4-methylphenyl)-N-prop-2-enyl-1,2,4-triazole-3-carboxamide
CID 42656771
5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180319
4-[5-(4-chlorophenyl)triazol-1-yl]-N-prop-2-enylbenzamide
CID 16652430
1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 30436188
1,3-dimethyl-N-prop-2-enylpyrrole-2-carboxamide
CID 130670164
5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224039
3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide
CID 26643522
2-(3,4-dichlorophenyl)-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide
CID 9399486
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(prop-2-enylamino)ethanone
CID 114670154

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide (CID 4637238) is 4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide is C=CCNC(=O)c1c(Cl)cnn1-c1ccc(C)cc1.
What is the InChIKey of 4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide?
The InChIKey is OKQYTWMZMJUIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-3-8-16-14(19)13-12(15)9-17-18(13)11-6-4-10(2)5-7-11/h3-7,9H,1,8H2,2H3,(H,16,19).
What are the key properties of 4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide?
4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide is sourced from PubChem (CID 4637238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).