N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C17H22F3N5O — CID 58267464

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1C
InChIInChI=1S/C17H22F3N5O/c1-4-24-11(3)15(10(2)22-24)21-14(26)9-25-13-8-6-5-7-12(13)16(23-25)17(18,19)20/h4-9H2,1-3H3,(H,21,26)
InChIKeyYEJRMOYMBHPANB-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.25
Rot. Bonds4

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 58267464) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID58267464
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1C
InChIInChI=1S/C17H22F3N5O/c1-4-24-11(3)15(10(2)22-24)21-14(26)9-25-13-8-6-5-7-12(13)16(23-25)17(18,19)20/h4-9H2,1-3H3,(H,21,26)
InChIKeyYEJRMOYMBHPANB-UHFFFAOYSA-N
XLogP3.25
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 788042
1-(4-Methyl-piperidin-1-yl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-ethanone
CID 649781
N-isobutyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 798599
N-Cyclopentyl-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 650832
N-sec-Butyl-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 3136365
1-(3,5-Dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
CID 168300272
N-propyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 2056737
N-(tert-butyl)-2-[3-(trifluoromethyl)(1H-4,5,6,7-tetrahydroindazolyl)]acetamid e
CID 3136366
N-(1,3,5-trimethylpyrazol-4-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780695
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethyl)acetamide
CID 72718568
N-cyclohexyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 807829
1-(Azepan-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
CID 807834

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 58267464) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is CCn1nc(C)c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is YEJRMOYMBHPANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-4-24-11(3)15(10(2)22-24)21-14(26)9-25-13-8-6-5-7-12(13)16(23-25)17(18,19)20/h4-9H2,1-3H3,(H,21,26).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 369.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 58267464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).