1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole

C18H16FN7 — CID 72931099

IUPAC1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole
SMILESFc1ccc(-n2cccn2)c(-c2cn(Cc3cc(C4CC4)n[nH]3)nn2)c1
InChIInChI=1S/C18H16FN7/c19-13-4-5-18(26-7-1-6-20-26)15(8-13)17-11-25(24-23-17)10-14-9-16(22-21-14)12-2-3-12/h1,4-9,11-12H,2-3,10H2,(H,21,22)
InChIKeyVFCGPMNDHXAPMS-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.92
Rot. Bonds5

About 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole

1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole (PubChem CID 72931099) has the molecular formula C18H16FN7 and a molecular weight of 349.37 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole
PubChem CID72931099
Molecular FormulaC18H16FN7
Molecular Weight349.37 g/mol
Exact Mass349.15
IUPAC Name1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole
SMILESFc1ccc(-n2cccn2)c(-c2cn(Cc3cc(C4CC4)n[nH]3)nn2)c1
InChIInChI=1S/C18H16FN7/c19-13-4-5-18(26-7-1-6-20-26)15(8-13)17-11-25(24-23-17)10-14-9-16(22-21-14)12-2-3-12/h1,4-9,11-12H,2-3,10H2,(H,21,22)
InChIKeyVFCGPMNDHXAPMS-UHFFFAOYSA-N
XLogP2.92
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(5-fluoro-2-pyrazol-1-ylphenyl)triazol-1-yl]ethyl]-3,5-dimethyl-1,2,4-triazole
CID 72844147
2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine
CID 72846054
(2S)-2-[[4-(5-methoxy-2-pyrazol-1-ylphenyl)triazol-1-yl]methyl]morpholine
CID 97188510
2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole
CID 168553559
1-(2-chloro-4-fluorophenyl)pyrazole
CID 91212691
4-(2,5-difluorophenyl)-1-[3-(2-methylimidazol-1-yl)propyl]triazole
CID 166251391
4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine
CID 156608964
1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137341336
1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
CID 43314016
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 111107523
2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 131927341
(3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111474707

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole?
The IUPAC name of 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole (CID 72931099) is 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole.
What is the SMILES notation for 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole?
The canonical SMILES for 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole is Fc1ccc(-n2cccn2)c(-c2cn(Cc3cc(C4CC4)n[nH]3)nn2)c1.
What is the InChIKey of 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole?
The InChIKey is VFCGPMNDHXAPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7/c19-13-4-5-18(26-7-1-6-20-26)15(8-13)17-11-25(24-23-17)10-14-9-16(22-21-14)12-2-3-12/h1,4-9,11-12H,2-3,10H2,(H,21,22).
What are the key properties of 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole?
1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole has a molecular weight of 349.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-pyrazol-1-ylphenyl)triazole is sourced from PubChem (CID 72931099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).