2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine

C13H14F3N5 — CID 121282240

IUPAC2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine
SMILESFC(F)(F)c1ccn(Cc2cnc(N3CCCC3)cn2)n1
InChIInChI=1S/C13H14F3N5/c14-13(15,16)11-3-6-21(19-11)9-10-7-18-12(8-17-10)20-4-1-2-5-20/h3,6-8H,1-2,4-5,9H2
InChIKeyBBRCCMUJTDORRM-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.34
Rot. Bonds3

About 2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine

2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine (PubChem CID 121282240) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine
PubChem CID121282240
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine
SMILESFC(F)(F)c1ccn(Cc2cnc(N3CCCC3)cn2)n1
InChIInChI=1S/C13H14F3N5/c14-13(15,16)11-3-6-21(19-11)9-10-7-18-12(8-17-10)20-4-1-2-5-20/h3,6-8H,1-2,4-5,9H2
InChIKeyBBRCCMUJTDORRM-UHFFFAOYSA-N
XLogP2.34
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 145900911
N,5-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70778317
N-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 118740371
7-Imidazol-1-yl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 35417569
5-Methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71596495
4-Methyl-6-(1h-pyrazol-1-yl)pyrimidine
CID 61967283
2-ethyl-4-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56871387
2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 95307801
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 95350260
5-fluoro-N-methyl-N-((1-methyl-1H-pyrazol-5-yl)methyl)pyrimidin-2-amine
CID 121020810
2-{3-[(1H-pyrazol-1-yl)methyl]azetidin-1-yl}-4-(trifluoromethyl)pyrimidine
CID 137965146
N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazin-2-amine
CID 164639291

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine?
The IUPAC name of 2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine (CID 121282240) is 2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine?
The canonical SMILES for 2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine is FC(F)(F)c1ccn(Cc2cnc(N3CCCC3)cn2)n1.
What is the InChIKey of 2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine?
The InChIKey is BBRCCMUJTDORRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c14-13(15,16)11-3-6-21(19-11)9-10-7-18-12(8-17-10)20-4-1-2-5-20/h3,6-8H,1-2,4-5,9H2.
What are the key properties of 2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine?
2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine has a molecular weight of 297.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazine is sourced from PubChem (CID 121282240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).