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

C11H16F3N3 — CID 64754305

IUPACN-propyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCCCNc1n[nH]c2c1CC(C(F)(F)F)CC2
InChIInChI=1S/C11H16F3N3/c1-2-5-15-10-8-6-7(11(12,13)14)3-4-9(8)16-17-10/h7H,2-6H2,1H3,(H2,15,16,17)
InChIKeyBAGZBICOAYVYCC-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.90
Rot. Bonds3

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

N-propyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 64754305) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-propyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-propyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID64754305
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC NameN-propyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCCCNc1n[nH]c2c1CC(C(F)(F)F)CC2
InChIInChI=1S/C11H16F3N3/c1-2-5-15-10-8-6-7(11(12,13)14)3-4-9(8)16-17-10/h7H,2-6H2,1H3,(H2,15,16,17)
InChIKeyBAGZBICOAYVYCC-UHFFFAOYSA-N
XLogP2.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of N-propyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 64754305) is N-propyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for N-propyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for N-propyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is CCCNc1n[nH]c2c1CC(C(F)(F)F)CC2.
What is the InChIKey of N-propyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is BAGZBICOAYVYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-2-5-15-10-8-6-7(11(12,13)14)3-4-9(8)16-17-10/h7H,2-6H2,1H3,(H2,15,16,17).
What are the key properties of N-propyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
N-propyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 247.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 64754305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).