4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

C17H21N5O2 — CID 51096821

IUPAC4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2cc(C)nn2CCC#N)[nH]c(C)c1C(C)=O
InChIInChI=1S/C17H21N5O2/c1-5-13-15(12(4)23)11(3)19-16(13)17(24)20-14-9-10(2)21-22(14)8-6-7-18/h9,19H,5-6,8H2,1-4H3,(H,20,24)
InChIKeyGWLWLCSHIYUKHK-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.76
Rot. Bonds6

About 4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 51096821) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID51096821
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2cc(C)nn2CCC#N)[nH]c(C)c1C(C)=O
InChIInChI=1S/C17H21N5O2/c1-5-13-15(12(4)23)11(3)19-16(13)17(24)20-14-9-10(2)21-22(14)8-6-7-18/h9,19H,5-6,8H2,1-4H3,(H,20,24)
InChIKeyGWLWLCSHIYUKHK-UHFFFAOYSA-N
XLogP2.76
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

methyl 5-[[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51096845
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 71943624
4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 47266692
5-bromo-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 47785354
1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea
CID 47200898
2-bromo-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 47017202
4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 47265101
4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60527517
4-acetyl-N-(1-cyanobutyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 56823337
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 51096831
4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 15997837
(E)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(4-cyanophenyl)prop-2-enamide
CID 47074398

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (CID 51096821) is 4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)Nc2cc(C)nn2CCC#N)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is GWLWLCSHIYUKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-5-13-15(12(4)23)11(3)19-16(13)17(24)20-14-9-10(2)21-22(14)8-6-7-18/h9,19H,5-6,8H2,1-4H3,(H,20,24).
What are the key properties of 4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51096821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).