2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline

C17H17F3N4 — CID 8852980

IUPAC2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline
SMILESCc1cc2nc(N3CCC[C@@H](C(F)(F)F)C3)c3ccccc3n2n1
InChIInChI=1S/C17H17F3N4/c1-11-9-15-21-16(13-6-2-3-7-14(13)24(15)22-11)23-8-4-5-12(10-23)17(18,19)20/h2-3,6-7,9,12H,4-5,8,10H2,1H3/t12-/m1/s1
InChIKeyJKFYPPBBBZBVCP-GFCCVEGCSA-N
MW334.35 g/mol
LogP3.97
Rot. Bonds1

About 2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline

2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline (PubChem CID 8852980) has the molecular formula C17H17F3N4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline
PubChem CID8852980
Molecular FormulaC17H17F3N4
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline
SMILESCc1cc2nc(N3CCC[C@@H](C(F)(F)F)C3)c3ccccc3n2n1
InChIInChI=1S/C17H17F3N4/c1-11-9-15-21-16(13-6-2-3-7-14(13)24(15)22-11)23-8-4-5-12(10-23)17(18,19)20/h2-3,6-7,9,12H,4-5,8,10H2,1H3/t12-/m1/s1
InChIKeyJKFYPPBBBZBVCP-GFCCVEGCSA-N
XLogP3.97
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline?
The IUPAC name of 2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline (CID 8852980) is 2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline.
What is the SMILES notation for 2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline?
The canonical SMILES for 2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline is Cc1cc2nc(N3CCC[C@@H](C(F)(F)F)C3)c3ccccc3n2n1.
What is the InChIKey of 2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline?
The InChIKey is JKFYPPBBBZBVCP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17F3N4/c1-11-9-15-21-16(13-6-2-3-7-14(13)24(15)22-11)23-8-4-5-12(10-23)17(18,19)20/h2-3,6-7,9,12H,4-5,8,10H2,1H3/t12-/m1/s1.
What are the key properties of 2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline?
2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline has a molecular weight of 334.35 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline is sourced from PubChem (CID 8852980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).