5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide

C16H17FN6O2 — CID 95219629

IUPAC5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1nc([C@H](C)NC(=O)c2cc(COc3cccc(F)c3)[nH]n2)n[nH]1
InChIInChI=1S/C16H17FN6O2/c1-9(15-19-10(2)20-23-15)18-16(24)14-7-12(21-22-14)8-25-13-5-3-4-11(17)6-13/h3-7,9H,8H2,1-2H3,(H,18,24)(H,21,22)(H,19,20,23)/t9-/m0/s1
InChIKeyKGQUGSAQFBQMFC-VIFPVBQESA-N
MW344.35 g/mol
LogP2.05
Rot. Bonds6

About 5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide

5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 95219629) has the molecular formula C16H17FN6O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID95219629
Molecular FormulaC16H17FN6O2
Molecular Weight344.35 g/mol
Exact Mass344.14
IUPAC Name5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1nc([C@H](C)NC(=O)c2cc(COc3cccc(F)c3)[nH]n2)n[nH]1
InChIInChI=1S/C16H17FN6O2/c1-9(15-19-10(2)20-23-15)18-16(24)14-7-12(21-22-14)8-25-13-5-3-4-11(17)6-13/h3-7,9H,8H2,1-2H3,(H,18,24)(H,21,22)(H,19,20,23)/t9-/m0/s1
InChIKeyKGQUGSAQFBQMFC-VIFPVBQESA-N
XLogP2.05
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-fluorophenoxy)methyl]-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56751025
N-[(2,3-dimethylphenyl)methyl]-5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56755562
5-[(3-fluorophenoxy)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56753574
5-[(3-fluorophenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-3-carboxamide
CID 56739083
5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 56740922
2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 95205239
5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 56747947
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56750387
N-[(2S)-1-methoxypropan-2-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide
CID 26396732
5-[(2,4-difluorophenoxy)methyl]-N-[1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide
CID 56750778
5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 86981435
N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 95559001

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 95219629) is 5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide is Cc1nc([C@H](C)NC(=O)c2cc(COc3cccc(F)c3)[nH]n2)n[nH]1.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is KGQUGSAQFBQMFC-VIFPVBQESA-N. The full InChI is InChI=1S/C16H17FN6O2/c1-9(15-19-10(2)20-23-15)18-16(24)14-7-12(21-22-14)8-25-13-5-3-4-11(17)6-13/h3-7,9H,8H2,1-2H3,(H,18,24)(H,21,22)(H,19,20,23)/t9-/m0/s1.
What are the key properties of 5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenoxy)methyl]-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95219629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).