1-tert-butyl-3-(difluoromethoxy)pyrazol-5-amine

C8H13F2N3O — CID 178178402

IUPAC1-tert-butyl-3-(difluoromethoxy)pyrazol-5-amine
SMILESCC(C)(C)n1nc(OC(F)F)cc1N
InChIInChI=1S/C8H13F2N3O/c1-8(2,3)13-5(11)4-6(12-13)14-7(9)10/h4,7H,11H2,1-3H3
InChIKeyKEWZVYFMPVEXEH-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.82
Rot. Bonds2

About 1-tert-butyl-3-(difluoromethoxy)pyrazol-5-amine

1-tert-butyl-3-(difluoromethoxy)pyrazol-5-amine (PubChem CID 178178402) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-tert-butyl-3-(difluoromethoxy)pyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(difluoromethoxy)pyrazol-5-amine
PubChem CID178178402
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name1-tert-butyl-3-(difluoromethoxy)pyrazol-5-amine
SMILESCC(C)(C)n1nc(OC(F)F)cc1N
InChIInChI=1S/C8H13F2N3O/c1-8(2,3)13-5(11)4-6(12-13)14-7(9)10/h4,7H,11H2,1-3H3
InChIKeyKEWZVYFMPVEXEH-UHFFFAOYSA-N
XLogP1.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-(3-methylcyclobutyl)pyrazol-5-amine
CID 162343175
cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol
CID 162681549
tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate
CID 156696295
6-(difluoromethoxy)-2-methoxypyrimidin-4-amine
CID 22909978
1-tert-butyl-3-(4-methylphenyl)pyrazol-5-amine
CID 43436044
3-(difluoromethoxy)-1-methylpyrazole
CID 19424663
1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine
CID 177323818
6-(difluoromethoxy)-1-methylindazol-3-amine
CID 57476554
1-tert-butyl-5-(difluoromethyl)-4-iodo-3-methylpyrazole
CID 153449572
3-bromo-1-tert-butyl-5-(difluoromethyl)pyrazole
CID 153449613
1-tert-butyl-4-chloro-5-(difluoromethoxy)-3-(4-methoxyphenyl)pyrazole
CID 54151141
1-tert-butyl-3-(3-chlorophenyl)pyrazol-5-amine
CID 43381448

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(difluoromethoxy)pyrazol-5-amine?
The IUPAC name of 1-tert-butyl-3-(difluoromethoxy)pyrazol-5-amine (CID 178178402) is 1-tert-butyl-3-(difluoromethoxy)pyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-3-(difluoromethoxy)pyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-3-(difluoromethoxy)pyrazol-5-amine is CC(C)(C)n1nc(OC(F)F)cc1N.
What is the InChIKey of 1-tert-butyl-3-(difluoromethoxy)pyrazol-5-amine?
The InChIKey is KEWZVYFMPVEXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-8(2,3)13-5(11)4-6(12-13)14-7(9)10/h4,7H,11H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(difluoromethoxy)pyrazol-5-amine?
1-tert-butyl-3-(difluoromethoxy)pyrazol-5-amine has a molecular weight of 205.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(difluoromethoxy)pyrazol-5-amine is sourced from PubChem (CID 178178402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).