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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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).