3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine

C9H13FN4 — CID 131008133

IUPAC3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(N2CCC=C(F)C2)n1
InChIInChI=1S/C9H13FN4/c1-13-6-8(11)9(12-13)14-4-2-3-7(10)5-14/h3,6H,2,4-5,11H2,1H3
InChIKeyNSIDTZOFBNCUIS-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.07
Rot. Bonds1

About 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine

3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine (PubChem CID 131008133) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine
PubChem CID131008133
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(N2CCC=C(F)C2)n1
InChIInChI=1S/C9H13FN4/c1-13-6-8(11)9(12-13)14-4-2-3-7(10)5-14/h3,6H,2,4-5,11H2,1H3
InChIKeyNSIDTZOFBNCUIS-UHFFFAOYSA-N
XLogP1.07
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3,5-diamine
CID 150906437
5-(3-Fluoropiperidin-1-yl)-1-methylpyrazol-4-amine
CID 152639618
2-fluoro-6-N-(1-methylpyrazol-4-yl)-2,3-dihydropyridine-4,6-diamine
CID 167049472
1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
CID 103077867
3-N,1-dimethyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
CID 103078116
3-N-ethyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
CID 103078299
3-N-cyclopropyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
CID 103078302
1-methyl-3-N-propyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
CID 103078303
1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
CID 103078304
1-methyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine
CID 103078492
3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine
CID 103078635
3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine
CID 103078760

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine (CID 131008133) is 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine is Cn1cc(N)c(N2CCC=C(F)C2)n1.
What is the InChIKey of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine?
The InChIKey is NSIDTZOFBNCUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4/c1-13-6-8(11)9(12-13)14-4-2-3-7(10)5-14/h3,6H,2,4-5,11H2,1H3.
What are the key properties of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine?
3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine has a molecular weight of 196.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 131008133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).