N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylpyrazol-4-amine

C14H13F3N6O — CID 130309462

IUPACN-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)cn1
InChIInChI=1S/C14H13F3N6O/c1-22-7-9(6-19-22)18-5-10-8-23(21-20-10)11-2-3-12(15)13(4-11)24-14(16)17/h2-4,6-8,14,18H,5H2,1H3
InChIKeyPZKYEJMFTZQOCR-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.35
Rot. Bonds6

About N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylpyrazol-4-amine

N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylpyrazol-4-amine (PubChem CID 130309462) has the molecular formula C14H13F3N6O and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylpyrazol-4-amine
PubChem CID130309462
Molecular FormulaC14H13F3N6O
Molecular Weight338.29 g/mol
Exact Mass338.11
IUPAC NameN-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)cn1
InChIInChI=1S/C14H13F3N6O/c1-22-7-9(6-19-22)18-5-10-8-23(21-20-10)11-2-3-12(15)13(4-11)24-14(16)17/h2-4,6-8,14,18H,5H2,1H3
InChIKeyPZKYEJMFTZQOCR-UHFFFAOYSA-N
XLogP2.35
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484716
[3-(2-Fluorophenyl)-1-methyl-pyrazol-4-yl]methyl-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]amine
CID 16189988
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[1-(2-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16192336
US10071988, Example 221
CID 130302282
N-[[1-[3-(Difluoromethoxy)-4-fluoro-phenyl]triazol-4-
CID 130309397
US10071988, Example 101
CID 130309458
1-(3-methoxyphenyl)-1H-pyrazole
CID 24888466
4-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1-(3-methoxyphenyl)triazole
CID 132211997
US10071988, Example 7
CID 130309371
3-methoxy-5-(1H-pyrazol-1-yl)aniline
CID 80749408
2-[4-[(3-methoxyanilino)methyl]triazol-1-yl]-N-[5-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
CID 122182987
1-[1-(3-methoxyphenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]methanamine
CID 56903088

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylpyrazol-4-amine (CID 130309462) is N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylpyrazol-4-amine is Cn1cc(NCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)cn1.
What is the InChIKey of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylpyrazol-4-amine?
The InChIKey is PZKYEJMFTZQOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6O/c1-22-7-9(6-19-22)18-5-10-8-23(21-20-10)11-2-3-12(15)13(4-11)24-14(16)17/h2-4,6-8,14,18H,5H2,1H3.
What are the key properties of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylpyrazol-4-amine?
N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylpyrazol-4-amine has a molecular weight of 338.29 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 130309462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).