5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide

C17H26N4O2 — CID 111447298

IUPAC5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(C)n1-c1c(C(=O)NCC(C)CC(C)O)cnn1C
InChIInChI=1S/C17H26N4O2/c1-11(8-14(4)22)9-18-16(23)15-10-19-20(5)17(15)21-12(2)6-7-13(21)3/h6-7,10-11,14,22H,8-9H2,1-5H3,(H,18,23)
InChIKeyNOSZSJQQJODAEX-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.96
Rot. Bonds6

About 5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide

5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide (PubChem CID 111447298) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide
PubChem CID111447298
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(C)n1-c1c(C(=O)NCC(C)CC(C)O)cnn1C
InChIInChI=1S/C17H26N4O2/c1-11(8-14(4)22)9-18-16(23)15-10-19-20(5)17(15)21-12(2)6-7-13(21)3/h6-7,10-11,14,22H,8-9H2,1-5H3,(H,18,23)
InChIKeyNOSZSJQQJODAEX-UHFFFAOYSA-N
XLogP1.96
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 126797463
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)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 111486355
5-(2,5-dimethylpyrrol-1-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 111597138
(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833340
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
CID 94635076
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide
CID 71886952
N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide
CID 95775157
5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 60573967
5-(2,5-dimethylpyrrol-1-yl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 60573945
methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate
CID 113344254
1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide
CID 111697244

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide (CID 111447298) is 5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide is Cc1ccc(C)n1-c1c(C(=O)NCC(C)CC(C)O)cnn1C.
What is the InChIKey of 5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is NOSZSJQQJODAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(8-14(4)22)9-18-16(23)15-10-19-20(5)17(15)21-12(2)6-7-13(21)3/h6-7,10-11,14,22H,8-9H2,1-5H3,(H,18,23).
What are the key properties of 5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide?
5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrrol-1-yl)-N-(4-hydroxy-2-methylpentyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 111447298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).