5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine

C13H16F2N4O — CID 123584834

IUPAC5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine
SMILESCCC(C)n1ccc(-c2cnc(N)c(OC(F)F)c2)n1
InChIInChI=1S/C13H16F2N4O/c1-3-8(2)19-5-4-10(18-19)9-6-11(20-13(14)15)12(16)17-7-9/h4-8,13H,3H2,1-2H3,(H2,16,17)
InChIKeyKRYUWHLWTZXISP-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.10
Rot. Bonds5

About 5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine

5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 123584834) has the molecular formula C13H16F2N4O and a molecular weight of 282.29 g/mol. Its IUPAC name is 5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine
PubChem CID123584834
Molecular FormulaC13H16F2N4O
Molecular Weight282.29 g/mol
Exact Mass282.13
IUPAC Name5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine
SMILESCCC(C)n1ccc(-c2cnc(N)c(OC(F)F)c2)n1
InChIInChI=1S/C13H16F2N4O/c1-3-8(2)19-5-4-10(18-19)9-6-11(20-13(14)15)12(16)17-7-9/h4-8,13H,3H2,1-2H3,(H2,16,17)
InChIKeyKRYUWHLWTZXISP-UHFFFAOYSA-N
XLogP3.10
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane
CID 144866404
6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol
CID 123237556
3-(difluoromethoxy)-5-[1-[4-[(1S,2R,5R)-1,2-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]butan-2-yl]pyrazol-3-yl]pyridin-2-amine
CID 162616420
5-[5-(3,3-difluoro-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 140678110
5-[1-butan-2-yl-5-[3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 123577726
(5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
CID 144866370
5-[1-butan-2-yl-5-[3-(1,3-oxazepan-3-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 123165614
(1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one
CID 118161644
3-(difluoromethoxy)-5-(1-propan-2-ylazet-1-ium-2-yl)pyridin-2-amine
CID 123982246
3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(2S,5R)-1-tricyclo[3.1.0.02,6]hexanyl]pyrazol-3-yl]pyridin-2-amine
CID 154971443
ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
CID 144866228
1-[(2S)-butan-2-yl]pyrazol-3-amine
CID 28841775

Frequently Asked Questions

What is the IUPAC name of 5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine (CID 123584834) is 5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine is CCC(C)n1ccc(-c2cnc(N)c(OC(F)F)c2)n1.
What is the InChIKey of 5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine?
The InChIKey is KRYUWHLWTZXISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O/c1-3-8(2)19-5-4-10(18-19)9-6-11(20-13(14)15)12(16)17-7-9/h4-8,13H,3H2,1-2H3,(H2,16,17).
What are the key properties of 5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine?
5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 282.29 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 123584834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).