5-(cyclobutanecarbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C20H21F3N4O2 — CID 42877096

IUPAC5-(cyclobutanecarbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1n[nH]c2c1CN(C(=O)C1CCC1)CC2
InChIInChI=1S/C20H21F3N4O2/c21-20(22,23)14-6-1-3-12(9-14)10-24-18(28)17-15-11-27(8-7-16(15)25-26-17)19(29)13-4-2-5-13/h1,3,6,9,13H,2,4-5,7-8,10-11H2,(H,24,28)(H,25,26)
InChIKeySGKLZJFVCZSKLK-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.04
Rot. Bonds4

About 5-(cyclobutanecarbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-(cyclobutanecarbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 42877096) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is 5-(cyclobutanecarbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cyclobutanecarbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID42877096
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Name5-(cyclobutanecarbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1n[nH]c2c1CN(C(=O)C1CCC1)CC2
InChIInChI=1S/C20H21F3N4O2/c21-20(22,23)14-6-1-3-12(9-14)10-24-18(28)17-15-11-27(8-7-16(15)25-26-17)19(29)13-4-2-5-13/h1,3,6,9,13H,2,4-5,7-8,10-11H2,(H,24,28)(H,25,26)
InChIKeySGKLZJFVCZSKLK-UHFFFAOYSA-N
XLogP3.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclobutanecarbonyl)-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873570
5-(cyclobutanecarbonyl)-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873553
5-(2-fluorobenzoyl)-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873589
5-(2-ethoxyacetyl)-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076109
cyclohexyl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329676
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 42062876
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 86993073
5-[2-(4-methoxyphenyl)acetyl]-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46075174
5-[2-(2,5-dimethoxyphenyl)acetyl]-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076105
5-[2-(2,4-dichlorophenyl)acetyl]-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076104
pyrrolidin-1-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 25376306
pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone
CID 25448752

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutanecarbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(cyclobutanecarbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 42877096) is 5-(cyclobutanecarbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(cyclobutanecarbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(cyclobutanecarbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1n[nH]c2c1CN(C(=O)C1CCC1)CC2.
What is the InChIKey of 5-(cyclobutanecarbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is SGKLZJFVCZSKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c21-20(22,23)14-6-1-3-12(9-14)10-24-18(28)17-15-11-27(8-7-16(15)25-26-17)19(29)13-4-2-5-13/h1,3,6,9,13H,2,4-5,7-8,10-11H2,(H,24,28)(H,25,26).
What are the key properties of 5-(cyclobutanecarbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-(cyclobutanecarbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutanecarbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 42877096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).