1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine

C9H8F2N4 — CID 175861408

IUPAC1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine
SMILESNc1cnn(C(F)F)c1-c1cccnc1
InChIInChI=1S/C9H8F2N4/c10-9(11)15-8(7(12)5-14-15)6-2-1-3-13-4-6/h1-5,9H,12H2
InChIKeyLQNGYKWOVPTGOW-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.92
Rot. Bonds2

About 1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine

1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine (PubChem CID 175861408) has the molecular formula C9H8F2N4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine
PubChem CID175861408
Molecular FormulaC9H8F2N4
Molecular Weight210.19 g/mol
Exact Mass210.07
IUPAC Name1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine
SMILESNc1cnn(C(F)F)c1-c1cccnc1
InChIInChI=1S/C9H8F2N4/c10-9(11)15-8(7(12)5-14-15)6-2-1-3-13-4-6/h1-5,9H,12H2
InChIKeyLQNGYKWOVPTGOW-UHFFFAOYSA-N
XLogP1.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethyl)-3-pyridin-3-ylpyrazole-5-carboxamide
CID 121210823
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
cyclopenta[c]azepine
CID 638010
4-pyridin-3-ylaniline;dihydrochloride
CID 154574926
3,5-dipyridin-3-yl-1,2,4-triazol-4-amine
CID 2768013
3-azulen-6-ylpyridine
CID 86232079
2-pyridin-3-ylpyridine-3,4-diamine
CID 118914760
1-(difluoromethyl)pyrazolo[5,4-b]pyridine
CID 154233726
4-fluoro-2,6-dipyridin-3-ylaniline
CID 46316799
3-methyl-2-pyridin-3-ylaniline
CID 22482419
2,4-dipyridin-3-ylaniline
CID 46316358
3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine
CID 174760347

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine?
The IUPAC name of 1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine (CID 175861408) is 1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine.
What is the SMILES notation for 1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine?
The canonical SMILES for 1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine is Nc1cnn(C(F)F)c1-c1cccnc1.
What is the InChIKey of 1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine?
The InChIKey is LQNGYKWOVPTGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4/c10-9(11)15-8(7(12)5-14-15)6-2-1-3-13-4-6/h1-5,9H,12H2.
What are the key properties of 1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine?
1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine has a molecular weight of 210.19 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-pyridin-3-ylpyrazol-4-amine is sourced from PubChem (CID 175861408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).