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

C16H20F3N5O — CID 58267498

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCCn1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cn1
InChIInChI=1S/C16H20F3N5O/c1-2-23-9-11(8-21-23)7-20-14(25)10-24-13-6-4-3-5-12(13)15(22-24)16(17,18)19/h8-9H,2-7,10H2,1H3,(H,20,25)
InChIKeyXVJRLDFXHOVYIF-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.31
Rot. Bonds5

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

N-[(1-ethylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 58267498) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID58267498
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCCn1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cn1
InChIInChI=1S/C16H20F3N5O/c1-2-23-9-11(8-21-23)7-20-14(25)10-24-13-6-4-3-5-12(13)15(22-24)16(17,18)19/h8-9H,2-7,10H2,1H3,(H,20,25)
InChIKeyXVJRLDFXHOVYIF-UHFFFAOYSA-N
XLogP2.31
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 58267498) is N-[(1-ethylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is CCn1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is XVJRLDFXHOVYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-2-23-9-11(8-21-23)7-20-14(25)10-24-13-6-4-3-5-12(13)15(22-24)16(17,18)19/h8-9H,2-7,10H2,1H3,(H,20,25).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-[(1-ethylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 355.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 58267498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).