2-methyl-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine

C14H18F3N5 — CID 133489611

IUPAC2-methyl-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(N3CCCN(CC(F)(F)F)CC3)nccn2n1
InChIInChI=1S/C14H18F3N5/c1-11-9-12-13(18-3-6-22(12)19-11)21-5-2-4-20(7-8-21)10-14(15,16)17/h3,6,9H,2,4-5,7-8,10H2,1H3
InChIKeyXALTWUVXVNMWEH-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.11
Rot. Bonds2

About 2-methyl-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine

2-methyl-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 133489611) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-methyl-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-methyl-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine
PubChem CID133489611
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC Name2-methyl-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(N3CCCN(CC(F)(F)F)CC3)nccn2n1
InChIInChI=1S/C14H18F3N5/c1-11-9-12-13(18-3-6-22(12)19-11)21-5-2-4-20(7-8-21)10-14(15,16)17/h3,6,9H,2,4-5,7-8,10H2,1H3
InChIKeyXALTWUVXVNMWEH-UHFFFAOYSA-N
XLogP2.11
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133488828
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine
CID 133487949
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-one
CID 104730047
2-methyl-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 127922251
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133490284
N,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 155800620
4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 166601620
N-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide
CID 133488688
4-[3-(2-chloroethyl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 104733894
N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine
CID 104733601
4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
CID 133487929
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N-propylpiperidin-3-amine
CID 104729270

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-methyl-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine (CID 133489611) is 2-methyl-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-methyl-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-methyl-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine is Cc1cc2c(N3CCCN(CC(F)(F)F)CC3)nccn2n1.
What is the InChIKey of 2-methyl-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is XALTWUVXVNMWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5/c1-11-9-12-13(18-3-6-22(12)19-11)21-5-2-4-20(7-8-21)10-14(15,16)17/h3,6,9H,2,4-5,7-8,10H2,1H3.
What are the key properties of 2-methyl-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine?
2-methyl-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 313.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 133489611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).