1-methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide

C18H24N4O5 — CID 11523680

IUPAC1-methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(N)=O)c1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H24N4O5/c1-6-7-11-14(15(17(19)23)22(2)21-11)20-18(24)10-8-12(25-3)16(27-5)13(9-10)26-4/h8-9H,6-7H2,1-5H3,(H2,19,23)(H,20,24)
InChIKeyYIUJSTZMOXFARH-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.75
Rot. Bonds8

About 1-methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide

1-methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide (PubChem CID 11523680) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide
PubChem CID11523680
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name1-methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(N)=O)c1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H24N4O5/c1-6-7-11-14(15(17(19)23)22(2)21-11)20-18(24)10-8-12(25-3)16(27-5)13(9-10)26-4/h8-9H,6-7H2,1-5H3,(H2,19,23)(H,20,24)
InChIKeyYIUJSTZMOXFARH-UHFFFAOYSA-N
XLogP1.75
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3-Methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 899247
Pyrazole, 3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-
CID 737529
(3,4,5-Trimethoxy-phenyl)-(3,4,5-trimethyl-pyrazol-1-yl)-methanone
CID 753830
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 658857
3,4,5-triethoxy-N'-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylene]benzohydrazide
CID 5431522
5-[(3-Fluorophenyl)methyl]-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepine-2-carboxamide
CID 16028424
5-(3,4-Dimethoxyphenyl)-1-(2-hydroxyethyl)-3-pentan-3-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one
CID 71624532
5-(3,4-Dimethoxyphenyl)-1-(3-hydroxypropyl)-3-pentan-3-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one
CID 71624639
5-(3,4-Dimethoxy-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626427
5-(3,5-Dimethoxy-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626441
5-[(4-Methylphenyl)methyl]-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepine-2-carboxamide
CID 16028394
N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 24818039

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide (CID 11523680) is 1-methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide is CCCc1nn(C)c(C(N)=O)c1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide?
The InChIKey is YIUJSTZMOXFARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-6-7-11-14(15(17(19)23)22(2)21-11)20-18(24)10-8-12(25-3)16(27-5)13(9-10)26-4/h8-9H,6-7H2,1-5H3,(H2,19,23)(H,20,24).
What are the key properties of 1-methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide?
1-methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-4-[(3,4,5-trimethoxybenzoyl)amino]pyrazole-5-carboxamide is sourced from PubChem (CID 11523680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).