N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide

C17H20N6O2 — CID 42464619

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cn(Cc3ccc(OC)cc3)nn2)cn1
InChIInChI=1S/C17H20N6O2/c1-3-22-11-14(9-19-22)8-18-17(24)16-12-23(21-20-16)10-13-4-6-15(25-2)7-5-13/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,18,24)
InChIKeyLOEGICFYFOFKSY-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.48
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide (PubChem CID 42464619) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
PubChem CID42464619
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCCn1cc(CNC(=O)c2cn(Cc3ccc(OC)cc3)nn2)cn1
InChIInChI=1S/C17H20N6O2/c1-3-22-11-14(9-19-22)8-18-17(24)16-12-23(21-20-16)10-13-4-6-15(25-2)7-5-13/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,18,24)
InChIKeyLOEGICFYFOFKSY-UHFFFAOYSA-N
XLogP1.48
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-amino-3-[4-[(4-methoxyphenyl)methylcarbamoyl]triazol-1-yl]propanoate
CID 175662114
1-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
CID 25458811
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19340083
1-[(4-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442981
4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290632
1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea
CID 135223350
1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 146064976
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273300
2-[4-[(6-methoxy-3-pyridinyl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 66290431
1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide
CID 32637465

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide (CID 42464619) is N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide is CCn1cc(CNC(=O)c2cn(Cc3ccc(OC)cc3)nn2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
The InChIKey is LOEGICFYFOFKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-3-22-11-14(9-19-22)8-18-17(24)16-12-23(21-20-16)10-13-4-6-15(25-2)7-5-13/h4-7,9,11-12H,3,8,10H2,1-2H3,(H,18,24).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 42464619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).