N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C23H24N4O3 — CID 122657485

IUPACN-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCC(=O)NCCN(Cc1ccccc1)C(=O)c1nn(C)c2c1COc1ccccc1-2
InChIInChI=1S/C23H24N4O3/c1-16(28)24-12-13-27(14-17-8-4-3-5-9-17)23(29)21-19-15-30-20-11-7-6-10-18(20)22(19)26(2)25-21/h3-11H,12-15H2,1-2H3,(H,24,28)
InChIKeyJGSWAGMWZXMFQW-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.76
Rot. Bonds6

About N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 122657485) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID122657485
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCC(=O)NCCN(Cc1ccccc1)C(=O)c1nn(C)c2c1COc1ccccc1-2
InChIInChI=1S/C23H24N4O3/c1-16(28)24-12-13-27(14-17-8-4-3-5-9-17)23(29)21-19-15-30-20-11-7-6-10-18(20)22(19)26(2)25-21/h3-11H,12-15H2,1-2H3,(H,24,28)
InChIKeyJGSWAGMWZXMFQW-UHFFFAOYSA-N
XLogP2.76
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-N-benzyl-8-cyclopropyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657467
N-(2-acetamidoethyl)-N-benzyl-8-bromo-2-methyl-4H-chromeno[4,3-c]pyrazole-3-carboxamide
CID 155567642
N,1-dimethyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 53015641
N-(2-cyanoethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 6623754
N-ethyl-N-(2-ethylphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22516984
3-[[2-[benzyl-(8-fluoro-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carbonyl)amino]acetyl]amino]-4-fluorobenzoic acid
CID 118063879
4-[[(8-chloro-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carbonyl)-[(2-fluorophenyl)methyl]amino]methyl]-3-fluorobenzoic acid
CID 118063506
8-bromo-N-[(3-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657499
N-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22516824
N-benzyl-N-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389010
N,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517068
8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657512

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 122657485) is N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is CC(=O)NCCN(Cc1ccccc1)C(=O)c1nn(C)c2c1COc1ccccc1-2.
What is the InChIKey of N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is JGSWAGMWZXMFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16(28)24-12-13-27(14-17-8-4-3-5-9-17)23(29)21-19-15-30-20-11-7-6-10-18(20)22(19)26(2)25-21/h3-11H,12-15H2,1-2H3,(H,24,28).
What are the key properties of N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 122657485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).