3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

C20H27N3O3 — CID 42820183

IUPAC3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(CC)c1C(=O)NCC1CCCO1
InChIInChI=1S/C20H27N3O3/c1-4-17-19(20(24)21-13-16-7-6-12-26-16)18(5-2)23(22-17)14-8-10-15(25-3)11-9-14/h8-11,16H,4-7,12-13H2,1-3H3,(H,21,24)
InChIKeyVOAHLTIDGSFNBK-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.91
Rot. Bonds7

About 3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42820183) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID42820183
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(CC)c1C(=O)NCC1CCCO1
InChIInChI=1S/C20H27N3O3/c1-4-17-19(20(24)21-13-16-7-6-12-26-16)18(5-2)23(22-17)14-8-10-15(25-3)11-9-14/h8-11,16H,4-7,12-13H2,1-3H3,(H,21,24)
InChIKeyVOAHLTIDGSFNBK-UHFFFAOYSA-N
XLogP2.91
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-3,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 83285028
1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide
CID 42818108
4-ethyl-2-(4-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 42836032
6-methoxy-1-(4-methoxyphenyl)-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridazine-3-carboxamide
CID 95099143
1-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-propan-2-yltriazole-4-carboxamide
CID 27260652
1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 42818227
1-(4-methoxyphenyl)-6-oxo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91945572
5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 92757648
1-(4-methoxyphenyl)-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 97465078
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44762278
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184994
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (CID 42820183) is 3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is CCc1nn(-c2ccc(OC)cc2)c(CC)c1C(=O)NCC1CCCO1.
What is the InChIKey of 3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is VOAHLTIDGSFNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-17-19(20(24)21-13-16-7-6-12-26-16)18(5-2)23(22-17)14-8-10-15(25-3)11-9-14/h8-11,16H,4-7,12-13H2,1-3H3,(H,21,24).
What are the key properties of 3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42820183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).