pyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone

C12H11F3N4O — CID 164631806

IUPACpyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnn2ccncc12)N1CC[C@H](C(F)(F)F)C1
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)8-1-3-18(7-8)11(20)9-5-17-19-4-2-16-6-10(9)19/h2,4-6,8H,1,3,7H2/t8-/m0/s1
InChIKeySYRZMFAGJZKZPT-QMMMGPOBSA-N
MW284.24 g/mol
LogP1.75
Rot. Bonds1

About pyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone

pyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 164631806) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID164631806
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Namepyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnn2ccncc12)N1CC[C@H](C(F)(F)F)C1
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)8-1-3-18(7-8)11(20)9-5-17-19-4-2-16-6-10(9)19/h2,4-6,8H,1,3,7H2/t8-/m0/s1
InChIKeySYRZMFAGJZKZPT-QMMMGPOBSA-N
XLogP1.75
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one
CID 138024647
5-(difluoromethyl)-N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 45255883
3-(difluoromethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255889
N,1-dimethyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 59606951
N-methyl-1-propan-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 59607023
N,5-dimethyl-N-pyridazin-4-yl-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide
CID 118278897
N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(1-pyrazin-2-ylethyl)pyrazole-4-carboxamide
CID 25054951
N-(2,2-difluoroethyl)-5-(difluoromethyl)-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 45254294
N-(2,2-difluoroethyl)-5-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 45254295
N-methyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 45255303
N,5-dimethyl-N-pyridazin-4-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 45255884
N,1-dimethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 45256267

Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of pyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 164631806) is pyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for pyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for pyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is O=C(c1cnn2ccncc12)N1CC[C@H](C(F)(F)F)C1.
What is the InChIKey of pyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SYRZMFAGJZKZPT-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11F3N4O/c13-12(14,15)8-1-3-18(7-8)11(20)9-5-17-19-4-2-16-6-10(9)19/h2,4-6,8H,1,3,7H2/t8-/m0/s1.
What are the key properties of pyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
pyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 284.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrazin-3-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164631806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).