5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C14H21F2N3O — CID 123444440

IUPAC5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCC(C)C1OC(CN2CCn3nccc3C2)CC1(F)F
InChIInChI=1S/C14H21F2N3O/c1-10(2)13-14(15,16)7-12(20-13)9-18-5-6-19-11(8-18)3-4-17-19/h3-4,10,12-13H,5-9H2,1-2H3
InChIKeyMSRJUDOJDQOEHD-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.15
Rot. Bonds3

About 5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 123444440) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID123444440
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCC(C)C1OC(CN2CCn3nccc3C2)CC1(F)F
InChIInChI=1S/C14H21F2N3O/c1-10(2)13-14(15,16)7-12(20-13)9-18-5-6-19-11(8-18)3-4-17-19/h3-4,10,12-13H,5-9H2,1-2H3
InChIKeyMSRJUDOJDQOEHD-UHFFFAOYSA-N
XLogP2.15
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine with MolForge

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Related Compounds

1-(1-Oxaspiro[4.5]decan-2-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 102846928
1-[(5,5-Dimethyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole
CID 113544601
(4aS,7aR)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
CID 137957305
(5S,6S)-6-methoxy-9-[(2-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 110159249
[2-[(5,5-Dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methanamine
CID 116524201
N-methyl-N-[[9-[(1-methylpyrazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine
CID 134072599
rel-(2R,6S)-2-butyl-6-isopropyl-4-[(1-methyl-1H-pyrazol-5-yl)methyl]morpholine
CID 155494420
rel-(2R,6S)-2-butyl-6-isopropyl-4-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]morpholine
CID 155498776

Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 123444440) is 5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CC(C)C1OC(CN2CCn3nccc3C2)CC1(F)F.
What is the InChIKey of 5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is MSRJUDOJDQOEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-10(2)13-14(15,16)7-12(20-13)9-18-5-6-19-11(8-18)3-4-17-19/h3-4,10,12-13H,5-9H2,1-2H3.
What are the key properties of 5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 285.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-difluoro-5-propan-2-yloxolan-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 123444440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).