N-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine

C11H14F3N3 — CID 64754307

IUPACN-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESFC(F)(F)C1CCc2[nH]nc(NC3CC3)c2C1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)6-1-4-9-8(5-6)10(17-16-9)15-7-2-3-7/h6-7H,1-5H2,(H2,15,16,17)
InChIKeyMPXUKWGHSRCFRD-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.65
Rot. Bonds2

About N-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine

N-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 64754307) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is N-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID64754307
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC NameN-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESFC(F)(F)C1CCc2[nH]nc(NC3CC3)c2C1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)6-1-4-9-8(5-6)10(17-16-9)15-7-2-3-7/h6-7H,1-5H2,(H2,15,16,17)
InChIKeyMPXUKWGHSRCFRD-UHFFFAOYSA-N
XLogP2.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of N-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 64754307) is N-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for N-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for N-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is FC(F)(F)C1CCc2[nH]nc(NC3CC3)c2C1.
What is the InChIKey of N-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is MPXUKWGHSRCFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)6-1-4-9-8(5-6)10(17-16-9)15-7-2-3-7/h6-7H,1-5H2,(H2,15,16,17).
What are the key properties of N-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
N-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 245.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 64754307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).