1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-N,N,5-tripropylpyrazole-3-carboxamide

C25H35N3O3 — CID 163264568

IUPAC1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-N,N,5-tripropylpyrazole-3-carboxamide
SMILESC=C/C=C(/c1ccc(OC)c(OC)c1)n1nc(C(=O)N(CCC)CCC)cc1CCC
InChIInChI=1S/C25H35N3O3/c1-7-11-20-18-21(25(29)27(15-9-3)16-10-4)26-28(20)22(12-8-2)19-13-14-23(30-5)24(17-19)31-6/h8,12-14,17-18H,2,7,9-11,15-16H2,1,3-6H3/b22-12-
InChIKeyVSXMJPVQTALGAJ-UUYOSTAYSA-N
MW425.57 g/mol
LogP5.19
Rot. Bonds12

About 1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-N,N,5-tripropylpyrazole-3-carboxamide

1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-N,N,5-tripropylpyrazole-3-carboxamide (PubChem CID 163264568) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-N,N,5-tripropylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-N,N,5-tripropylpyrazole-3-carboxamide
PubChem CID163264568
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-N,N,5-tripropylpyrazole-3-carboxamide
SMILESC=C/C=C(/c1ccc(OC)c(OC)c1)n1nc(C(=O)N(CCC)CCC)cc1CCC
InChIInChI=1S/C25H35N3O3/c1-7-11-20-18-21(25(29)27(15-9-3)16-10-4)26-28(20)22(12-8-2)19-13-14-23(30-5)24(17-19)31-6/h8,12-14,17-18H,2,7,9-11,15-16H2,1,3-6H3/b22-12-
InChIKeyVSXMJPVQTALGAJ-UUYOSTAYSA-N
XLogP5.19
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(1Z)-1-(3,4-dimethylphenyl)buta-1,3-dienyl]-5-ethyl-N-propyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide
CID 163265014
[2-[4-[1-[(1Z)-1-(4-ethyl-3-methoxyphenyl)buta-1,3-dienyl]-5-propylpyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate
CID 163264138
1-[(1Z)-1-(4-amino-3-sulfanylphenyl)buta-1,3-dienyl]-N-(3-methylpentyl)-N,5-dipropylpyrazole-3-carboxamide;(2Z,4Z,6E)-6-methylnona-2,4,6-triene
CID 163263983
carbanide;1-[1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-5-methylpyrazol-3-yl]butan-1-one;(3,4-dimethylphenyl)methanone;propane;uranium(2+)
CID 163264625
[1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-5-ethylpyrazol-3-yl]-[3-methyl-4-(2,3,4,5,6-pentafluorobenzoyl)piperazin-1-yl]methanone
CID 163264692
cyclobutadienyl-[1-[(1Z)-1-(4-methoxy-3-methylphenyl)buta-1,3-dienyl]-5-methylpyrazol-3-yl]methanone
CID 163264797
4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218350
3-(dipropylcarbamoyl)-4-methoxybenzoic acid
CID 129054402
4-(2,5-dimethoxybenzoyl)-N,N-dipropylbenzamide
CID 1377997
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
1-[(1Z)-1-(4-amino-3-methoxyphenyl)buta-1,3-dienyl]-5-ethyl-N-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-3-carboxamide
CID 163264067

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-N,N,5-tripropylpyrazole-3-carboxamide?
The IUPAC name of 1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-N,N,5-tripropylpyrazole-3-carboxamide (CID 163264568) is 1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-N,N,5-tripropylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-N,N,5-tripropylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-N,N,5-tripropylpyrazole-3-carboxamide is C=C/C=C(/c1ccc(OC)c(OC)c1)n1nc(C(=O)N(CCC)CCC)cc1CCC.
What is the InChIKey of 1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-N,N,5-tripropylpyrazole-3-carboxamide?
The InChIKey is VSXMJPVQTALGAJ-UUYOSTAYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-7-11-20-18-21(25(29)27(15-9-3)16-10-4)26-28(20)22(12-8-2)19-13-14-23(30-5)24(17-19)31-6/h8,12-14,17-18H,2,7,9-11,15-16H2,1,3-6H3/b22-12-.
What are the key properties of 1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-N,N,5-tripropylpyrazole-3-carboxamide?
1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-N,N,5-tripropylpyrazole-3-carboxamide has a molecular weight of 425.57 g/mol, XLogP of 5.19, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-1-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-N,N,5-tripropylpyrazole-3-carboxamide is sourced from PubChem (CID 163264568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).