1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C19H20N4O — CID 30436188

IUPAC1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESC=CCNC(=O)c1cnn(-c2ccc(C)c(C)c2)c1-n1cccc1
InChIInChI=1S/C19H20N4O/c1-4-9-20-18(24)17-13-21-23(19(17)22-10-5-6-11-22)16-8-7-14(2)15(3)12-16/h4-8,10-13H,1,9H2,2-3H3,(H,20,24)
InChIKeyNGTZACGLKMGMAE-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.20
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 30436188) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID30436188
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESC=CCNC(=O)c1cnn(-c2ccc(C)c(C)c2)c1-n1cccc1
InChIInChI=1S/C19H20N4O/c1-4-9-20-18(24)17-13-21-23(19(17)22-10-5-6-11-22)16-8-7-14(2)15(3)12-16/h4-8,10-13H,1,9H2,2-3H3,(H,20,24)
InChIKeyNGTZACGLKMGMAE-UHFFFAOYSA-N
XLogP3.20
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dipropylamino)ethyl]-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20914995
N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892553
N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936842
N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915300
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 30436764
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915052
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915321
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46551543
N-[3-[butyl(methyl)amino]propyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892610
N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20885984
1-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915331
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915284

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 30436188) is 1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide is C=CCNC(=O)c1cnn(-c2ccc(C)c(C)c2)c1-n1cccc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is NGTZACGLKMGMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-4-9-20-18(24)17-13-21-23(19(17)22-10-5-6-11-22)16-8-7-14(2)15(3)12-16/h4-8,10-13H,1,9H2,2-3H3,(H,20,24).
What are the key properties of 1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 30436188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).