[4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate

C15H14F3N3O3 — CID 154076289

IUPAC[4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
SMILESO=C(OCc1ccc(OC(F)(F)F)cc1)N1CCc2cn[nH]c2C1
InChIInChI=1S/C15H14F3N3O3/c16-15(17,18)24-12-3-1-10(2-4-12)9-23-14(22)21-6-5-11-7-19-20-13(11)8-21/h1-4,7H,5-6,8-9H2,(H,19,20)
InChIKeyPJNMRTSQWUMKMG-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.00
Rot. Bonds3

About [4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate

[4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 154076289) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is [4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Name[4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
PubChem CID154076289
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name[4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
SMILESO=C(OCc1ccc(OC(F)(F)F)cc1)N1CCc2cn[nH]c2C1
InChIInChI=1S/C15H14F3N3O3/c16-15(17,18)24-12-3-1-10(2-4-12)9-23-14(22)21-6-5-11-7-19-20-13(11)8-21/h1-4,7H,5-6,8-9H2,(H,19,20)
InChIKeyPJNMRTSQWUMKMG-UHFFFAOYSA-N
XLogP3.00
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate
CID 10132265
2-(4-Ethoxyphenyl)-1-{1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-5-YL}ethan-1-one
CID 53185448
2-(4-Methylphenoxy)-1-{1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-5-YL}ethan-1-one
CID 53185450
ethyl 4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine-1-carboxylate
CID 29089020
ethyl 4-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]piperidine-1-carboxylate
CID 42098155
4-(3-Fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one
CID 71858965
3-(4-Fluorophenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 86859680
4,4-difluoro-3-(methoxymethyl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 124051286
4,4,4-trifluoro-1-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]butan-1-one
CID 10222362
[3-Chloro-4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 66662525
N'-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303531
1-[3-(3-Trifluoromethoxy-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone
CID 89444619

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of [4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate (CID 154076289) is [4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for [4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for [4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate is O=C(OCc1ccc(OC(F)(F)F)cc1)N1CCc2cn[nH]c2C1.
What is the InChIKey of [4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is PJNMRTSQWUMKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c16-15(17,18)24-12-3-1-10(2-4-12)9-23-14(22)21-6-5-11-7-19-20-13(11)8-21/h1-4,7H,5-6,8-9H2,(H,19,20).
What are the key properties of [4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
[4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 341.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 154076289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).