[5-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

C16H19F3N6O — CID 91777133

IUPAC[5-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1cc2n(n1)CCN(c1cc(C(F)(F)F)nc(N3CCCC3)n1)C2
InChIInChI=1S/C16H19F3N6O/c17-16(18,19)13-8-14(21-15(20-13)23-3-1-2-4-23)24-5-6-25-12(9-24)7-11(10-26)22-25/h7-8,26H,1-6,9-10H2
InChIKeyNPMIDTGBCPFPOZ-UHFFFAOYSA-N
MW368.36 g/mol
LogP1.80
Rot. Bonds3

About [5-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

[5-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 91777133) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is [5-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID91777133
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name[5-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1cc2n(n1)CCN(c1cc(C(F)(F)F)nc(N3CCCC3)n1)C2
InChIInChI=1S/C16H19F3N6O/c17-16(18,19)13-8-14(21-15(20-13)23-3-1-2-4-23)24-5-6-25-12(9-24)7-11(10-26)22-25/h7-8,26H,1-6,9-10H2
InChIKeyNPMIDTGBCPFPOZ-UHFFFAOYSA-N
XLogP1.80
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [5-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 91777133) is [5-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is OCc1cc2n(n1)CCN(c1cc(C(F)(F)F)nc(N3CCCC3)n1)C2.
What is the InChIKey of [5-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is NPMIDTGBCPFPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c17-16(18,19)13-8-14(21-15(20-13)23-3-1-2-4-23)24-5-6-25-12(9-24)7-11(10-26)22-25/h7-8,26H,1-6,9-10H2.
What are the key properties of [5-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[5-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 368.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 91777133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).