(2,2-diethyl-4-fluoropiperidin-1-yl)-(2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methanone

C19H31FN4O — CID 142866685

IUPAC(2,2-diethyl-4-fluoropiperidin-1-yl)-(2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCCC1(CC)CC(F)CCN1C(=O)c1c(C)nn2c1NCCC2(C)C
InChIInChI=1S/C19H31FN4O/c1-6-19(7-2)12-14(20)8-11-23(19)17(25)15-13(3)22-24-16(15)21-10-9-18(24,4)5/h14,21H,6-12H2,1-5H3
InChIKeyYAQGUUUJFJAVMM-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.88
Rot. Bonds3

About (2,2-diethyl-4-fluoropiperidin-1-yl)-(2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methanone

(2,2-diethyl-4-fluoropiperidin-1-yl)-(2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 142866685) has the molecular formula C19H31FN4O and a molecular weight of 350.48 g/mol. Its IUPAC name is (2,2-diethyl-4-fluoropiperidin-1-yl)-(2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name(2,2-diethyl-4-fluoropiperidin-1-yl)-(2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID142866685
Molecular FormulaC19H31FN4O
Molecular Weight350.48 g/mol
Exact Mass350.25
IUPAC Name(2,2-diethyl-4-fluoropiperidin-1-yl)-(2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCCC1(CC)CC(F)CCN1C(=O)c1c(C)nn2c1NCCC2(C)C
InChIInChI=1S/C19H31FN4O/c1-6-19(7-2)12-14(20)8-11-23(19)17(25)15-13(3)22-24-16(15)21-10-9-18(24,4)5/h14,21H,6-12H2,1-5H3
InChIKeyYAQGUUUJFJAVMM-UHFFFAOYSA-N
XLogP3.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-diethyl-4-fluoropiperidin-1-yl)-(2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of (2,2-diethyl-4-fluoropiperidin-1-yl)-(2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 142866685) is (2,2-diethyl-4-fluoropiperidin-1-yl)-(2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for (2,2-diethyl-4-fluoropiperidin-1-yl)-(2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for (2,2-diethyl-4-fluoropiperidin-1-yl)-(2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methanone is CCC1(CC)CC(F)CCN1C(=O)c1c(C)nn2c1NCCC2(C)C.
What is the InChIKey of (2,2-diethyl-4-fluoropiperidin-1-yl)-(2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is YAQGUUUJFJAVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN4O/c1-6-19(7-2)12-14(20)8-11-23(19)17(25)15-13(3)22-24-16(15)21-10-9-18(24,4)5/h14,21H,6-12H2,1-5H3.
What are the key properties of (2,2-diethyl-4-fluoropiperidin-1-yl)-(2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methanone?
(2,2-diethyl-4-fluoropiperidin-1-yl)-(2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 350.48 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diethyl-4-fluoropiperidin-1-yl)-(2,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 142866685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).