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

C11H17F2N3 — CID 162779243

IUPAC7-(difluoromethyl)-5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCC(C)c1cc2n(n1)C(C(F)F)CN(C)C2
InChIInChI=1S/C11H17F2N3/c1-7(2)9-4-8-5-15(3)6-10(11(12)13)16(8)14-9/h4,7,10-11H,5-6H2,1-3H3
InChIKeyXXMZVAORATUVRS-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.26
Rot. Bonds2

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

7-(difluoromethyl)-5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 162779243) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-(difluoromethyl)-5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID162779243
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name7-(difluoromethyl)-5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCC(C)c1cc2n(n1)C(C(F)F)CN(C)C2
InChIInChI=1S/C11H17F2N3/c1-7(2)9-4-8-5-15(3)6-10(11(12)13)16(8)14-9/h4,7,10-11H,5-6H2,1-3H3
InChIKeyXXMZVAORATUVRS-UHFFFAOYSA-N
XLogP2.26
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine hydrochloride
CID 132286794
{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-methylethyl}amine
CID 19620826
2-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56915169
2-tert-butyl-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazine hydrochloride
CID 132300870
2-cyclobutyl-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazine hydrochloride
CID 165869618
5-(3-cyclohexen-1-ylmethyl)-2-[(4,4-difluoro-1-piperidinyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56910637
2-Cyclopropyl-5-((3,3,3-trifluoropropyl)sulfonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 119103086
1-[(2,5-Dimethylpyrazol-3-yl)methyl]-4-(fluoromethyl)piperidine
CID 126790761
5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole
CID 126791963
Piperidine, 4-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-
CID 11608470
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole
CID 20664188
1-Ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 20664190

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 7-(difluoromethyl)-5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 162779243) is 7-(difluoromethyl)-5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-(difluoromethyl)-5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-(difluoromethyl)-5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CC(C)c1cc2n(n1)C(C(F)F)CN(C)C2.
What is the InChIKey of 7-(difluoromethyl)-5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is XXMZVAORATUVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-7(2)9-4-8-5-15(3)6-10(11(12)13)16(8)14-9/h4,7,10-11H,5-6H2,1-3H3.
What are the key properties of 7-(difluoromethyl)-5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
7-(difluoromethyl)-5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 229.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 162779243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).