4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide

C20H22N4O5 — CID 19400329

IUPAC4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(OC)c(OC)c2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C20H22N4O5/c1-4-24-12-15(18(23-24)20(26)21-11-14-6-5-9-29-14)22-19(25)13-7-8-16(27-2)17(10-13)28-3/h5-10,12H,4,11H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyIYTQJGPJQNIQMR-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.70
Rot. Bonds8

About 4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide

4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19400329) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is 4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID19400329
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC Name4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(OC)c(OC)c2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C20H22N4O5/c1-4-24-12-15(18(23-24)20(26)21-11-14-6-5-9-29-14)22-19(25)13-7-8-16(27-2)17(10-13)28-3/h5-10,12H,4,11H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyIYTQJGPJQNIQMR-UHFFFAOYSA-N
XLogP2.70
TPSA107.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-N-(furan-2-ylmethyl)-4-[(3-methoxybenzoyl)amino]pyrazole-3-carboxamide
CID 19400201
4-[(5-chloro-2-methoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400331
1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide
CID 19400334
4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400249
1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
CID 19400289
4-[[4-[(2-chloro-5-methylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400298
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
4-[(2-bromobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400207
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19475701
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylbenzoyl)amino]pyrazole-3-carboxamide
CID 19400381
1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
CID 19400220
4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19511407

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (CID 19400329) is 4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccc(OC)c(OC)c2)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of 4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is IYTQJGPJQNIQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-4-24-12-15(18(23-24)20(26)21-11-14-6-5-9-29-14)22-19(25)13-7-8-16(27-2)17(10-13)28-3/h5-10,12H,4,11H2,1-3H3,(H,21,26)(H,22,25).
What are the key properties of 4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19400329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).