4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid

C19H13F3N2O3 — CID 166161943

IUPAC4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid
SMILESCC#Cc1ccc(C(=O)O)c2c1cnn2Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H13F3N2O3/c1-2-3-13-6-9-15(18(25)26)17-16(13)10-23-24(17)11-12-4-7-14(8-5-12)27-19(20,21)22/h4-10H,11H2,1H3,(H,25,26)
InChIKeyOCTZNTQKIYTLIG-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.05
Rot. Bonds4

About 4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid

4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid (PubChem CID 166161943) has the molecular formula C19H13F3N2O3 and a molecular weight of 374.32 g/mol. Its IUPAC name is 4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid.

Molecular Properties

Compound Name4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid
PubChem CID166161943
Molecular FormulaC19H13F3N2O3
Molecular Weight374.32 g/mol
Exact Mass374.09
IUPAC Name4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid
SMILESCC#Cc1ccc(C(=O)O)c2c1cnn2Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H13F3N2O3/c1-2-3-13-6-9-15(18(25)26)17-16(13)10-23-24(17)11-12-4-7-14(8-5-12)27-19(20,21)22/h4-10H,11H2,1H3,(H,25,26)
InChIKeyOCTZNTQKIYTLIG-UHFFFAOYSA-N
XLogP4.05
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 43471149
methyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate
CID 162609625
4-chloro-1-[(3-fluoro-4-iodophenyl)methyl]indazole-7-carboxylic acid
CID 146187831
methyl 6-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-4-carboxylate
CID 170561621
1-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-triazole-3-carboxylic acid
CID 164835673
6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25252382
1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
1-[(4-methoxyphenyl)methyl]-5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]triazole-4-carboxylic acid
CID 155422135
2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
CID 177337432
5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
CID 141247478
5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-2-fluorobenzoic acid
CID 114012248
4-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxylic acid
CID 107344309

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid?
The IUPAC name of 4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid (CID 166161943) is 4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid.
What is the SMILES notation for 4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid?
The canonical SMILES for 4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid is CC#Cc1ccc(C(=O)O)c2c1cnn2Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid?
The InChIKey is OCTZNTQKIYTLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3/c1-2-3-13-6-9-15(18(25)26)17-16(13)10-23-24(17)11-12-4-7-14(8-5-12)27-19(20,21)22/h4-10H,11H2,1H3,(H,25,26).
What are the key properties of 4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid?
4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid has a molecular weight of 374.32 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid is sourced from PubChem (CID 166161943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).