4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide

C17H22N4O4 — CID 19412447

IUPAC4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2cn(CC)nc2C(N)=O)cc1OCC
InChIInChI=1S/C17H22N4O4/c1-4-21-10-12(15(20-21)16(18)22)19-17(23)11-7-8-13(24-5-2)14(9-11)25-6-3/h7-10H,4-6H2,1-3H3,(H2,18,22)(H,19,23)
InChIKeyKBOVINUQAMWRGO-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.05
Rot. Bonds8

About 4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide

4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 19412447) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide
PubChem CID19412447
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2cn(CC)nc2C(N)=O)cc1OCC
InChIInChI=1S/C17H22N4O4/c1-4-21-10-12(15(20-21)16(18)22)19-17(23)11-7-8-13(24-5-2)14(9-11)25-6-3/h7-10H,4-6H2,1-3H3,(H2,18,22)(H,19,23)
InChIKeyKBOVINUQAMWRGO-UHFFFAOYSA-N
XLogP2.05
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412582
4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412187
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19412600
4-[[1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19270269
4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400329
1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide
CID 19412436
4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19277803
4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19412480
N-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide
CID 75397296
N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
CID 35291217
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide (CID 19412447) is 4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide is CCOc1ccc(C(=O)Nc2cn(CC)nc2C(N)=O)cc1OCC.
What is the InChIKey of 4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is KBOVINUQAMWRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-4-21-10-12(15(20-21)16(18)22)19-17(23)11-7-8-13(24-5-2)14(9-11)25-6-3/h7-10H,4-6H2,1-3H3,(H2,18,22)(H,19,23).
What are the key properties of 4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide?
4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19412447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).