N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide

C20H24N6O3 — CID 26335479

IUPACN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)c3cn(C[C@H]4CCCO4)nn3)cn2)c1
InChIInChI=1S/C20H24N6O3/c1-24(20(27)19-14-25(23-22-19)13-18-7-4-8-29-18)11-15-10-21-26(12-15)16-5-3-6-17(9-16)28-2/h3,5-6,9-10,12,14,18H,4,7-8,11,13H2,1-2H3/t18-/m1/s1
InChIKeyCWHYZLKNDKGTRU-GOSISDBHSA-N
MW396.45 g/mol
LogP1.92
Rot. Bonds7

About N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide (PubChem CID 26335479) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
PubChem CID26335479
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)c3cn(C[C@H]4CCCO4)nn3)cn2)c1
InChIInChI=1S/C20H24N6O3/c1-24(20(27)19-14-25(23-22-19)13-18-7-4-8-29-18)11-15-10-21-26(12-15)16-5-3-6-17(9-16)28-2/h3,5-6,9-10,12,14,18H,4,7-8,11,13H2,1-2H3/t18-/m1/s1
InChIKeyCWHYZLKNDKGTRU-GOSISDBHSA-N
XLogP1.92
TPSA87.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42195701
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 154897157
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 45236383
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 56884552
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylindolizine-3-carboxamide
CID 162630973
2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 56905821
(4aR,6S,8aR)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;hydrochloride
CID 163335027
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 86284156
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 95897893
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136527849
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 95708149

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide (CID 26335479) is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide is COc1cccc(-n2cc(CN(C)C(=O)c3cn(C[C@H]4CCCO4)nn3)cn2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is CWHYZLKNDKGTRU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-24(20(27)19-14-25(23-22-19)13-18-7-4-8-29-18)11-15-10-21-26(12-15)16-5-3-6-17(9-16)28-2/h3,5-6,9-10,12,14,18H,4,7-8,11,13H2,1-2H3/t18-/m1/s1.
What are the key properties of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide?
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 26335479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).