4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide

C17H22N4O3 — CID 850135

IUPAC4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(N)=O)c1NC(=O)c1ccccc1OCC
InChIInChI=1S/C17H22N4O3/c1-4-8-12-14(15(16(18)22)21(3)20-12)19-17(23)11-9-6-7-10-13(11)24-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,18,22)(H,19,23)
InChIKeyUAFIHVRUICMADE-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.12
Rot. Bonds7

About 4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide

4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide (PubChem CID 850135) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide
PubChem CID850135
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(N)=O)c1NC(=O)c1ccccc1OCC
InChIInChI=1S/C17H22N4O3/c1-4-8-12-14(15(16(18)22)21(3)20-12)19-17(23)11-9-6-7-10-13(11)24-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,18,22)(H,19,23)
InChIKeyUAFIHVRUICMADE-UHFFFAOYSA-N
XLogP2.12
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of 4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide (CID 850135) is 4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide is CCCc1nn(C)c(C(N)=O)c1NC(=O)c1ccccc1OCC.
What is the InChIKey of 4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide?
The InChIKey is UAFIHVRUICMADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-8-12-14(15(16(18)22)21(3)20-12)19-17(23)11-9-6-7-10-13(11)24-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,18,22)(H,19,23).
What are the key properties of 4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide?
4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 850135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).