4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

C24H28N4O2 — CID 55853525

IUPAC4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC2CCCc3c2cnn3Cc2ccccc2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C24H28N4O2/c1-4-18-22(16(3)29)15(2)26-23(18)24(30)27-20-11-8-12-21-19(20)13-25-28(21)14-17-9-6-5-7-10-17/h5-7,9-10,13,20,26H,4,8,11-12,14H2,1-3H3,(H,27,30)
InChIKeyQCSDQDIDZFATGK-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.14
Rot. Bonds6

About 4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 55853525) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID55853525
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC2CCCc3c2cnn3Cc2ccccc2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C24H28N4O2/c1-4-18-22(16(3)29)15(2)26-23(18)24(30)27-20-11-8-12-21-19(20)13-25-28(21)14-17-9-6-5-7-10-17/h5-7,9-10,13,20,26H,4,8,11-12,14H2,1-3H3,(H,27,30)
InChIKeyQCSDQDIDZFATGK-UHFFFAOYSA-N
XLogP4.14
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (CID 55853525) is 4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)NC2CCCc3c2cnn3Cc2ccccc2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is QCSDQDIDZFATGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-4-18-22(16(3)29)15(2)26-23(18)24(30)27-20-11-8-12-21-19(20)13-25-28(21)14-17-9-6-5-7-10-17/h5-7,9-10,13,20,26H,4,8,11-12,14H2,1-3H3,(H,27,30).
What are the key properties of 4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55853525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).