1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine

C12H17F3N4 — CID 114697501

IUPAC1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2n[nH]c3c2CC(C(F)(F)F)CC3)C1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)7-1-2-10-9(5-7)11(18-17-10)19-4-3-8(16)6-19/h7-8H,1-6,16H2,(H,17,18)
InChIKeyHKZRHGLEJZYNPO-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.61
Rot. Bonds1

About 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine

1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine (PubChem CID 114697501) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine
PubChem CID114697501
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2n[nH]c3c2CC(C(F)(F)F)CC3)C1
InChIInChI=1S/C12H17F3N4/c13-12(14,15)7-1-2-10-9(5-7)11(18-17-10)19-4-3-8(16)6-19/h7-8H,1-6,16H2,(H,17,18)
InChIKeyHKZRHGLEJZYNPO-UHFFFAOYSA-N
XLogP1.61
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine (CID 114697501) is 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine is NC1CCN(c2n[nH]c3c2CC(C(F)(F)F)CC3)C1.
What is the InChIKey of 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine?
The InChIKey is HKZRHGLEJZYNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c13-12(14,15)7-1-2-10-9(5-7)11(18-17-10)19-4-3-8(16)6-19/h7-8H,1-6,16H2,(H,17,18).
What are the key properties of 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine?
1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine has a molecular weight of 274.29 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]pyrrolidin-3-amine is sourced from PubChem (CID 114697501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).