N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide

C17H19FN6O — CID 126807350

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H19FN6O/c1-4-23-15(9-10-19-23)11-22(3)17(25)16-20-12(2)24(21-16)14-7-5-13(18)6-8-14/h5-10H,4,11H2,1-3H3
InChIKeyXDPBMKSKLVRSPQ-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.20
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide

N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide (PubChem CID 126807350) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
PubChem CID126807350
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H19FN6O/c1-4-23-15(9-10-19-23)11-22(3)17(25)16-20-12(2)24(21-16)14-7-5-13(18)6-8-14/h5-10H,4,11H2,1-3H3
InChIKeyXDPBMKSKLVRSPQ-UHFFFAOYSA-N
XLogP2.20
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 71940416
1-(4-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 94031179
1-(4-fluorophenyl)-N,5-dimethyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 94474514
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 19477847
1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 7018908
N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 94489794
N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19278025
1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 42944993
4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 122143622
N-[(3,4-dichlorophenyl)methyl]-1-(4-fluorophenyl)-5-methyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 55892065
N-[(2-ethylpyrazol-3-yl)methyl]-N,3,6-trimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821702
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 51246088

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide (CID 126807350) is N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide is CCn1nccc1CN(C)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is XDPBMKSKLVRSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-4-23-15(9-10-19-23)11-22(3)17(25)16-20-12(2)24(21-16)14-7-5-13(18)6-8-14/h5-10H,4,11H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 126807350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).