5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide

C17H24N4O3 — CID 111486355

IUPAC5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(C)n1-c1c(C(=O)NCC2(O)CCOCC2)cnn1C
InChIInChI=1S/C17H24N4O3/c1-12-4-5-13(2)21(12)16-14(10-19-20(16)3)15(22)18-11-17(23)6-8-24-9-7-17/h4-5,10,23H,6-9,11H2,1-3H3,(H,18,22)
InChIKeyTZWDCWQLSFAHKR-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.10
Rot. Bonds4

About 5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide

5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 111486355) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID111486355
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(C)n1-c1c(C(=O)NCC2(O)CCOCC2)cnn1C
InChIInChI=1S/C17H24N4O3/c1-12-4-5-13(2)21(12)16-14(10-19-20(16)3)15(22)18-11-17(23)6-8-24-9-7-17/h4-5,10,23H,6-9,11H2,1-3H3,(H,18,22)
InChIKeyTZWDCWQLSFAHKR-UHFFFAOYSA-N
XLogP1.10
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,5-dimethylpyrrol-1-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 111597138
2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide
CID 111486058
N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide
CID 79037076
5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide
CID 111447298
N-[(4-hydroxyoxan-4-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 79039754
3-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701310
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide
CID 71886952
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
CID 94635076
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
CID 112702691
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide
CID 79039193
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 138998224
N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103712065

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide (CID 111486355) is 5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide is Cc1ccc(C)n1-c1c(C(=O)NCC2(O)CCOCC2)cnn1C.
What is the InChIKey of 5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is TZWDCWQLSFAHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-4-5-13(2)21(12)16-14(10-19-20(16)3)15(22)18-11-17(23)6-8-24-9-7-17/h4-5,10,23H,6-9,11H2,1-3H3,(H,18,22).
What are the key properties of 5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide?
5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 111486355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).