4,5,6,7-tetrahydro-1H-indazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C17H20F3N5O — CID 127668221

IUPAC4,5,6,7-tetrahydro-1H-indazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCc2[nH]ncc2C1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C17H20F3N5O/c18-17(19,20)15-7-14(23-24-15)11-2-1-5-25(9-11)16(26)10-3-4-13-12(6-10)8-21-22-13/h7-8,10-11H,1-6,9H2,(H,21,22)(H,23,24)
InChIKeyNBCNBOHUSRSVNS-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.66
Rot. Bonds2

About 4,5,6,7-tetrahydro-1H-indazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

4,5,6,7-tetrahydro-1H-indazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 127668221) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-indazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-indazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID127668221
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name4,5,6,7-tetrahydro-1H-indazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCc2[nH]ncc2C1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C17H20F3N5O/c18-17(19,20)15-7-14(23-24-15)11-2-1-5-25(9-11)16(26)10-3-4-13-12(6-10)8-21-22-13/h7-8,10-11H,1-6,9H2,(H,21,22)(H,23,24)
InChIKeyNBCNBOHUSRSVNS-UHFFFAOYSA-N
XLogP2.66
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(3-fluoropropyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-2,3,3a,4,5,6-hexahydroindole-4-carboxamide
CID 89519593
1-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56751674
2-Methyl-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 56793938
[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone
CID 71912356
(2S)-2-methyl-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 95632659
(2R)-2-methyl-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 95632660
(4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95846125
(4,4-difluorocyclohexyl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95846126
[(3S)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-[(5R)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone
CID 97099163
[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-[(5R)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone
CID 97099164
3-[1-(4,4-Difluorocyclohexanecarbonyl)pyrrolidin-3-YL]-1H-pyrazole
CID 110096463
1-(4,4-Difluorocyclohexanecarbonyl)-3-(2H-pyrazol-3-ylmethyl)piperidine
CID 110106429

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 127668221) is 4,5,6,7-tetrahydro-1H-indazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-indazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-indazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is O=C(C1CCc2[nH]ncc2C1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-indazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is NBCNBOHUSRSVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c18-17(19,20)15-7-14(23-24-15)11-2-1-5-25(9-11)16(26)10-3-4-13-12(6-10)8-21-22-13/h7-8,10-11H,1-6,9H2,(H,21,22)(H,23,24).
What are the key properties of 4,5,6,7-tetrahydro-1H-indazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
4,5,6,7-tetrahydro-1H-indazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 367.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-indazol-5-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 127668221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).