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

C21H24N4O6 — CID 19400334

IUPAC1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(OC)c(OC)c2OC)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C21H24N4O6/c1-5-25-12-15(17(24-25)21(27)22-11-13-7-6-10-31-13)23-20(26)14-8-9-16(28-2)19(30-4)18(14)29-3/h6-10,12H,5,11H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyREYBKDUOGULCCJ-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.70
Rot. Bonds9

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

1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide (PubChem CID 19400334) has the molecular formula C21H24N4O6 and a molecular weight of 428.45 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide
PubChem CID19400334
Molecular FormulaC21H24N4O6
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Name1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(OC)c(OC)c2OC)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C21H24N4O6/c1-5-25-12-15(17(24-25)21(27)22-11-13-7-6-10-31-13)23-20(26)14-8-9-16(28-2)19(30-4)18(14)29-3/h6-10,12H,5,11H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyREYBKDUOGULCCJ-UHFFFAOYSA-N
XLogP2.70
TPSA116.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(5-chloro-2-methoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400331
4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400329
1-ethyl-N-propyl-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide
CID 19400096
4-[(2-bromobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400207
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylbenzoyl)amino]pyrazole-3-carboxamide
CID 19400381
1-ethyl-N-(furan-2-ylmethyl)-4-[(3-methoxybenzoyl)amino]pyrazole-3-carboxamide
CID 19400201
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19475701
4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19511407
1-ethyl-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 19472207
1-ethyl-N-(furan-2-ylmethyl)-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]pyrazole-3-carboxamide
CID 19511102
1-ethyl-N-(furan-2-ylmethyl)-4-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19264021
1-ethyl-N-(furan-2-ylmethyl)-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide
CID 19516989

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide (CID 19400334) is 1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccc(OC)c(OC)c2OC)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of 1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide?
The InChIKey is REYBKDUOGULCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6/c1-5-25-12-15(17(24-25)21(27)22-11-13-7-6-10-31-13)23-20(26)14-8-9-16(28-2)19(30-4)18(14)29-3/h6-10,12H,5,11H2,1-4H3,(H,22,27)(H,23,26).
What are the key properties of 1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide?
1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxybenzoyl)amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19400334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).