1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide

C16H17FN6O2 — CID 56901280

IUPAC1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide
SMILESCOCc1cc(CNC(=O)c2cn(Cc3ccccc3F)nn2)[nH]n1
InChIInChI=1S/C16H17FN6O2/c1-25-10-13-6-12(19-20-13)7-18-16(24)15-9-23(22-21-15)8-11-4-2-3-5-14(11)17/h2-6,9H,7-8,10H2,1H3,(H,18,24)(H,19,20)
InChIKeyIMOULZZGGZYWMA-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.26
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide

1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide (PubChem CID 56901280) has the molecular formula C16H17FN6O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide
PubChem CID56901280
Molecular FormulaC16H17FN6O2
Molecular Weight344.35 g/mol
Exact Mass344.14
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide
SMILESCOCc1cc(CNC(=O)c2cn(Cc3ccccc3F)nn2)[nH]n1
InChIInChI=1S/C16H17FN6O2/c1-25-10-13-6-12(19-20-13)7-18-16(24)15-9-23(22-21-15)8-11-4-2-3-5-14(11)17/h2-6,9H,7-8,10H2,1H3,(H,18,24)(H,19,20)
InChIKeyIMOULZZGGZYWMA-UHFFFAOYSA-N
XLogP1.26
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methoxymethyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168291136
3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-carboxamide
CID 168294540
1-(4-methoxybenzyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 25283721
5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 50976064
ethyl 1-[2-oxo-2-[[5-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]amino]ethyl]triazole-4-carboxylate
CID 122182983
Sdccgsbi-0117403.P001
CID 26412973
1-(cis-4-aminocyclohexyl)-N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
CID 70785527
1-(4-fluorobenzyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 42095527
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 45168401
1-(4-fluorobenzyl)-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 56905367
1-(2,6-difluorobenzyl)-N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 56905444
1-benzyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methylpyrazole-4-carboxamide
CID 74250337

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide (CID 56901280) is 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide is COCc1cc(CNC(=O)c2cn(Cc3ccccc3F)nn2)[nH]n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide?
The InChIKey is IMOULZZGGZYWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O2/c1-25-10-13-6-12(19-20-13)7-18-16(24)15-9-23(22-21-15)8-11-4-2-3-5-14(11)17/h2-6,9H,7-8,10H2,1H3,(H,18,24)(H,19,20).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 56901280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).