4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

C23H28N4O4 — CID 86972590

IUPAC4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C23H28N4O4/c1-6-19-21(14(3)28)13(2)24-22(19)23(29)25-20-11-16(26-27-20)8-7-15-9-17(30-4)12-18(10-15)31-5/h9-12,24H,6-8H2,1-5H3,(H2,25,26,27,29)
InChIKeyLEOZMFTUGVBOQL-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.87
Rot. Bonds9

About 4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 86972590) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID86972590
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C23H28N4O4/c1-6-19-21(14(3)28)13(2)24-22(19)23(29)25-20-11-16(26-27-20)8-7-15-9-17(30-4)12-18(10-15)31-5/h9-12,24H,6-8H2,1-5H3,(H2,25,26,27,29)
InChIKeyLEOZMFTUGVBOQL-UHFFFAOYSA-N
XLogP3.87
TPSA109.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3,3-dimethylbutanamide
CID 86972583
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide
CID 156742460
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-phenylpyrimidine-5-carboxamide
CID 86972575
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-methyl-2-nitrobenzamide
CID 86972613
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3S)-3,5-dimethylpiperazin-1-yl]benzamide
CID 130413665
4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 47265101
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 66589962
4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
CID 66589783
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide
CID 66589693
4-[5-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]thiophen-2-yl]piperazine-1-carboxylic acid
CID 66589737
4-acetyl-3-ethyl-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 47278434
4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
CID 66589647

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (CID 86972590) is 4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is LEOZMFTUGVBOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-6-19-21(14(3)28)13(2)24-22(19)23(29)25-20-11-16(26-27-20)8-7-15-9-17(30-4)12-18(10-15)31-5/h9-12,24H,6-8H2,1-5H3,(H2,25,26,27,29).
What are the key properties of 4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 3.87, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 86972590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).