2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide

C17H22F3N5O — CID 127768753

IUPAC2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide
SMILESCc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)NC1CCc2cn[nH]c2C1
InChIInChI=1S/C17H22F3N5O/c1-9(15-10(2)24-25(11(15)3)8-17(18,19)20)16(26)22-13-5-4-12-7-21-23-14(12)6-13/h7,9,13H,4-6,8H2,1-3H3,(H,21,23)(H,22,26)
InChIKeyZVLSUBAGSHJRHX-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.56
Rot. Bonds4

About 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide

2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide (PubChem CID 127768753) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide
PubChem CID127768753
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide
SMILESCc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)NC1CCc2cn[nH]c2C1
InChIInChI=1S/C17H22F3N5O/c1-9(15-10(2)24-25(11(15)3)8-17(18,19)20)16(26)22-13-5-4-12-7-21-23-14(12)6-13/h7,9,13H,4-6,8H2,1-3H3,(H,21,23)(H,22,26)
InChIKeyZVLSUBAGSHJRHX-UHFFFAOYSA-N
XLogP2.56
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 50977929
2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 71926885
2-propyl-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrazole-3-carboxamide
CID 164636750
N-[(1-ethylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 58267498
(3S)-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 32304674
(3S)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 32304677
(3R)-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 32304680
(3R)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 32304683
N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 48679911
N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 52536119
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 52536120
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 53512811

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide (CID 127768753) is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide is Cc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)NC1CCc2cn[nH]c2C1.
What is the InChIKey of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide?
The InChIKey is ZVLSUBAGSHJRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-9(15-10(2)24-25(11(15)3)8-17(18,19)20)16(26)22-13-5-4-12-7-21-23-14(12)6-13/h7,9,13H,4-6,8H2,1-3H3,(H,21,23)(H,22,26).
What are the key properties of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide?
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide has a molecular weight of 369.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide is sourced from PubChem (CID 127768753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).