N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide

C13H17F3N4O2 — CID 167881079

IUPACN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide
SMILESO=C(NCc1cnn2c1CNCC2)C1CC(C(F)(F)F)CO1
InChIInChI=1S/C13H17F3N4O2/c14-13(15,16)9-3-11(22-7-9)12(21)18-4-8-5-19-20-2-1-17-6-10(8)20/h5,9,11,17H,1-4,6-7H2,(H,18,21)
InChIKeyCLDWFTPZWTWWRR-UHFFFAOYSA-N
MW318.30 g/mol
LogP0.57
Rot. Bonds3

About N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide

N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 167881079) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID167881079
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide
SMILESO=C(NCc1cnn2c1CNCC2)C1CC(C(F)(F)F)CO1
InChIInChI=1S/C13H17F3N4O2/c14-13(15,16)9-3-11(22-7-9)12(21)18-4-8-5-19-20-2-1-17-6-10(8)20/h5,9,11,17H,1-4,6-7H2,(H,18,21)
InChIKeyCLDWFTPZWTWWRR-UHFFFAOYSA-N
XLogP0.57
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)pyrazole-3-carboxamide
CID 166305430
4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide
CID 167962010
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 166247877
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)ethanamine
CID 166255468
(1R)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 129354971
[(3R,6S)-6-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methylcarbamoyl]oxan-3-yl]carbamic acid
CID 155093295
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119869679
3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 144863048
3-(5-fluoropyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 121483953
(2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carboxamide
CID 126815726
(2R)-N-[(5-amino-1-methylpyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 104856388
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622502

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide (CID 167881079) is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide is O=C(NCc1cnn2c1CNCC2)C1CC(C(F)(F)F)CO1.
What is the InChIKey of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is CLDWFTPZWTWWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c14-13(15,16)9-3-11(22-7-9)12(21)18-4-8-5-19-20-2-1-17-6-10(8)20/h5,9,11,17H,1-4,6-7H2,(H,18,21).
What are the key properties of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide?
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-4-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 167881079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).