N'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide

C19H17F3N4O — CID 142606609

IUPACN'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide
SMILESC/C=C/c1ccc2c(/N=C(\N)c3ccc(OC(F)(F)F)cc3)nn(C)c2c1
InChIInChI=1S/C19H17F3N4O/c1-3-4-12-5-10-15-16(11-12)26(2)25-18(15)24-17(23)13-6-8-14(9-7-13)27-19(20,21)22/h3-11H,1-2H3,(H2,23,24,25)/b4-3+
InChIKeyJQTBTLQVYPPOEJ-ONEGZZNKSA-N
MW374.37 g/mol
LogP4.54
Rot. Bonds4

About N'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide

N'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide (PubChem CID 142606609) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is N'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide
PubChem CID142606609
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC NameN'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide
SMILESC/C=C/c1ccc2c(/N=C(\N)c3ccc(OC(F)(F)F)cc3)nn(C)c2c1
InChIInChI=1S/C19H17F3N4O/c1-3-4-12-5-10-15-16(11-12)26(2)25-18(15)24-17(23)13-6-8-14(9-7-13)27-19(20,21)22/h3-11H,1-2H3,(H2,23,24,25)/b4-3+
InChIKeyJQTBTLQVYPPOEJ-ONEGZZNKSA-N
XLogP4.54
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide?
The IUPAC name of N'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide (CID 142606609) is N'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide?
The canonical SMILES for N'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide is C/C=C/c1ccc2c(/N=C(\N)c3ccc(OC(F)(F)F)cc3)nn(C)c2c1.
What is the InChIKey of N'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide?
The InChIKey is JQTBTLQVYPPOEJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-3-4-12-5-10-15-16(11-12)26(2)25-18(15)24-17(23)13-6-8-14(9-7-13)27-19(20,21)22/h3-11H,1-2H3,(H2,23,24,25)/b4-3+.
What are the key properties of N'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide?
N'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide has a molecular weight of 374.37 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-methyl-6-[(E)-prop-1-enyl]indazol-3-yl]-4-(trifluoromethoxy)benzenecarboximidamide is sourced from PubChem (CID 142606609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).