4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide

C16H22N4O3 — CID 166394329

IUPAC4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)NC(C)c2cc(=O)[nH][nH]2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C16H22N4O3/c1-5-6-11-14(10(4)21)9(3)17-15(11)16(23)18-8(2)12-7-13(22)20-19-12/h7-8,17H,5-6H2,1-4H3,(H,18,23)(H2,19,20,22)
InChIKeyWFRDJQZJUJGMCY-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.99
Rot. Bonds6

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

4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide (PubChem CID 166394329) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide
PubChem CID166394329
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)NC(C)c2cc(=O)[nH][nH]2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C16H22N4O3/c1-5-6-11-14(10(4)21)9(3)17-15(11)16(23)18-8(2)12-7-13(22)20-19-12/h7-8,17H,5-6H2,1-4H3,(H,18,23)(H2,19,20,22)
InChIKeyWFRDJQZJUJGMCY-UHFFFAOYSA-N
XLogP1.99
TPSA110.61 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 120508905
4-acetyl-N-[1-(3-bromophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60506259
4-acetyl-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 166211455
4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 120829396
3-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 119237217
4-acetyl-N-(2-amino-2-phenylethyl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 119528709
4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide
CID 119388518
4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60504904
4-acetyl-5-methyl-N-[3-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 119432269
4-acetyl-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 94439243
2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 119136993
4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229808

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide (CID 166394329) is 4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide is CCCc1c(C(=O)NC(C)c2cc(=O)[nH][nH]2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide?
The InChIKey is WFRDJQZJUJGMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-5-6-11-14(10(4)21)9(3)17-15(11)16(23)18-8(2)12-7-13(22)20-19-12/h7-8,17H,5-6H2,1-4H3,(H,18,23)(H2,19,20,22).
What are the key properties of 4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide?
4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 166394329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).