(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine

C9H10FN5 — CID 129073645

IUPAC(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine
SMILESC[C@H](N)c1cnc(-n2cc(F)cn2)cn1
InChIInChI=1S/C9H10FN5/c1-6(11)8-3-13-9(4-12-8)15-5-7(10)2-14-15/h2-6H,11H2,1H3/t6-/m0/s1
InChIKeyXFJRDDYDWNTDCW-LURJTMIESA-N
MW207.21 g/mol
LogP0.82
Rot. Bonds2

About (1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine

(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine (PubChem CID 129073645) has the molecular formula C9H10FN5 and a molecular weight of 207.21 g/mol. Its IUPAC name is (1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine
PubChem CID129073645
Molecular FormulaC9H10FN5
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC Name(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine
SMILESC[C@H](N)c1cnc(-n2cc(F)cn2)cn1
InChIInChI=1S/C9H10FN5/c1-6(11)8-3-13-9(4-12-8)15-5-7(10)2-14-15/h2-6H,11H2,1H3/t6-/m0/s1
InChIKeyXFJRDDYDWNTDCW-LURJTMIESA-N
XLogP0.82
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281529
2-N-(1-ethyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281708
N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazin-2-amine
CID 49790537
3-(4-bromo-1H-pyrazol-1-yl)-2,5-dimethylpyrazine
CID 65417776
3-[(5-Methyl-1-pentan-3-ylpyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 84596663
N-(3,3-difluorocyclobutyl)-6-pyrazol-1-ylpyrazin-2-amine
CID 132361504
2-N-(1-cyclopropyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67969851
4-N-methyl-2-N-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-2,4,5-triamine
CID 68094425
4-N-methyl-2-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-2,4,5-triamine
CID 68094429
4-N-methyl-2-N-(5-methyl-1-propylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092952

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine?
The IUPAC name of (1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine (CID 129073645) is (1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine is C[C@H](N)c1cnc(-n2cc(F)cn2)cn1.
What is the InChIKey of (1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine?
The InChIKey is XFJRDDYDWNTDCW-LURJTMIESA-N. The full InChI is InChI=1S/C9H10FN5/c1-6(11)8-3-13-9(4-12-8)15-5-7(10)2-14-15/h2-6H,11H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine?
(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine has a molecular weight of 207.21 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethanamine is sourced from PubChem (CID 129073645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).