3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C12H18F3N3 — CID 118489371

IUPAC3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)c1n[nH]c2c1CN(CCC(F)(F)F)CC2
InChIInChI=1S/C12H18F3N3/c1-8(2)11-9-7-18(6-4-12(13,14)15)5-3-10(9)16-17-11/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyIPYCFSAIMSZZFE-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.84
Rot. Bonds3

About 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 118489371) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID118489371
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(C)c1n[nH]c2c1CN(CCC(F)(F)F)CC2
InChIInChI=1S/C12H18F3N3/c1-8(2)11-9-7-18(6-4-12(13,14)15)5-3-10(9)16-17-11/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyIPYCFSAIMSZZFE-UHFFFAOYSA-N
XLogP2.84
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 118489371) is 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CC(C)c1n[nH]c2c1CN(CCC(F)(F)F)CC2.
What is the InChIKey of 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is IPYCFSAIMSZZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8(2)11-9-7-18(6-4-12(13,14)15)5-3-10(9)16-17-11/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 261.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118489371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).