[5-[3-(difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine

C9H9F2N5 — CID 134192940

IUPAC[5-[3-(difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine
SMILESNCc1cnc(-n2ccc(C(F)F)n2)cn1
InChIInChI=1S/C9H9F2N5/c10-9(11)7-1-2-16(15-7)8-5-13-6(3-12)4-14-8/h1-2,4-5,9H,3,12H2
InChIKeyQONGJZJOHJAQHY-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.06
Rot. Bonds3

About [5-[3-(difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine

[5-[3-(difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine (PubChem CID 134192940) has the molecular formula C9H9F2N5 and a molecular weight of 225.20 g/mol. Its IUPAC name is [5-[3-(difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[5-[3-(difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine
PubChem CID134192940
Molecular FormulaC9H9F2N5
Molecular Weight225.20 g/mol
Exact Mass225.08
IUPAC Name[5-[3-(difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine
SMILESNCc1cnc(-n2ccc(C(F)F)n2)cn1
InChIInChI=1S/C9H9F2N5/c10-9(11)7-1-2-16(15-7)8-5-13-6(3-12)4-14-8/h1-2,4-5,9H,3,12H2
InChIKeyQONGJZJOHJAQHY-UHFFFAOYSA-N
XLogP1.06
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67814206
3-[5-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67818467
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
2-N-(1,5-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281523
4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281529
2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281678
2-N-(1-ethyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281708
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
US11214565, Example D-13
CID 135374687
2-Methylpyrazolo(1,5-a)pyrimidin-6-amine
CID 25247809
2-Methylpyrazolo(1,5-a)pyrimidin-3-amine hydrochloride
CID 146154023

Frequently Asked Questions

What is the IUPAC name of [5-[3-(difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine?
The IUPAC name of [5-[3-(difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine (CID 134192940) is [5-[3-(difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine.
What is the SMILES notation for [5-[3-(difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine?
The canonical SMILES for [5-[3-(difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine is NCc1cnc(-n2ccc(C(F)F)n2)cn1.
What is the InChIKey of [5-[3-(difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine?
The InChIKey is QONGJZJOHJAQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5/c10-9(11)7-1-2-16(15-7)8-5-13-6(3-12)4-14-8/h1-2,4-5,9H,3,12H2.
What are the key properties of [5-[3-(difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine?
[5-[3-(difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine has a molecular weight of 225.20 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(difluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine is sourced from PubChem (CID 134192940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).