1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C19H17F3N4O — CID 90772263

IUPAC1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)14-6-2-4-8-16(14)25-9-11-26(12-10-25)18(27)17-13-5-1-3-7-15(13)23-24-17/h1-8H,9-12H2,(H,23,24)
InChIKeySVPWKCDHRGJDRB-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.54
Rot. Bonds2

About 1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 90772263) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID90772263
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)14-6-2-4-8-16(14)25-9-11-26(12-10-25)18(27)17-13-5-1-3-7-15(13)23-24-17/h1-8H,9-12H2,(H,23,24)
InChIKeySVPWKCDHRGJDRB-UHFFFAOYSA-N
XLogP3.54
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509
tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate
CID 31517577
[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 9366754
2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]cyclohexane-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 173210178
1H-indazol-3-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 9021232
1H-indazol-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
CID 47834502
N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 25166302
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 75374117

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 90772263) is 1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C(c1n[nH]c2ccccc12)N1CCN(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is SVPWKCDHRGJDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c20-19(21,22)14-6-2-4-8-16(14)25-9-11-26(12-10-25)18(27)17-13-5-1-3-7-15(13)23-24-17/h1-8H,9-12H2,(H,23,24).
What are the key properties of 1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 374.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90772263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).