N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide

C17H21N7O2 — CID 70731822

IUPACN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)CCCn3cnnn3)cn2)c1
InChIInChI=1S/C17H21N7O2/c1-22(17(25)7-4-8-23-13-18-20-21-23)11-14-10-19-24(12-14)15-5-3-6-16(9-15)26-2/h3,5-6,9-10,12-13H,4,7-8,11H2,1-2H3
InChIKeyQJFLTBLXOWMXQK-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.31
Rot. Bonds8

About N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide (PubChem CID 70731822) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide
PubChem CID70731822
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)CCCn3cnnn3)cn2)c1
InChIInChI=1S/C17H21N7O2/c1-22(17(25)7-4-8-23-13-18-20-21-23)11-14-10-19-24(12-14)15-5-3-6-16(9-15)26-2/h3,5-6,9-10,12-13H,4,7-8,11H2,1-2H3
InChIKeyQJFLTBLXOWMXQK-UHFFFAOYSA-N
XLogP1.31
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 56884552
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CID 70732597
(3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide
CID 95894294
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 95897893
2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 56905821
(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-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylindolizine-3-carboxamide
CID 162630973
3-(3,4-dimethoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950697
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 78766216
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide
CID 157014594
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 26335479
4-(2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide (CID 70731822) is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide is COc1cccc(-n2cc(CN(C)C(=O)CCCn3cnnn3)cn2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide?
The InChIKey is QJFLTBLXOWMXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-22(17(25)7-4-8-23-13-18-20-21-23)11-14-10-19-24(12-14)15-5-3-6-16(9-15)26-2/h3,5-6,9-10,12-13H,4,7-8,11H2,1-2H3.
What are the key properties of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide?
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)butanamide has a molecular weight of 355.40 g/mol, XLogP of 1.31, 8 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-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 70731822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).