4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine

C12H19F2N3 — CID 169169260

IUPAC4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine
SMILESCn1nc(C2CC(F)(F)C2)c(C(C)(C)C)c1N
InChIInChI=1S/C12H19F2N3/c1-11(2,3)8-9(16-17(4)10(8)15)7-5-12(13,14)6-7/h7H,5-6,15H2,1-4H3
InChIKeyZVUSUIVEIOSMRJ-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.81
Rot. Bonds1

About 4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine

4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine (PubChem CID 169169260) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine
PubChem CID169169260
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine
SMILESCn1nc(C2CC(F)(F)C2)c(C(C)(C)C)c1N
InChIInChI=1S/C12H19F2N3/c1-11(2,3)8-9(16-17(4)10(8)15)7-5-12(13,14)6-7/h7H,5-6,15H2,1-4H3
InChIKeyZVUSUIVEIOSMRJ-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazol-5-amine
CID 22101084
5,5-difluoro-2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-amine
CID 165463441
3,4-Diethyl-1-methyl-1H-pyrazol-5-amine
CID 28064035
1,4-dimethyl-3-(pentafluoroethyl)-1H-pyrazole-5-amine
CID 58542574
4-(3,3-Dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
CID 90167984
2-Cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 144862318
3-(Difluoromethyl)-5-fluoro-1-methyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146379475
3-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine
CID 155436160
3-(3,3-difluorocyclobutyl)-1-methyl-1H-pyrazol-5-amine
CID 165659882
4-Cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine
CID 169169270
4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine
CID 169169353
4-Cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine
CID 169169378

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine (CID 169169260) is 4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine is Cn1nc(C2CC(F)(F)C2)c(C(C)(C)C)c1N.
What is the InChIKey of 4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine?
The InChIKey is ZVUSUIVEIOSMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-11(2,3)8-9(16-17(4)10(8)15)7-5-12(13,14)6-7/h7H,5-6,15H2,1-4H3.
What are the key properties of 4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine?
4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine has a molecular weight of 243.30 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-(3,3-difluorocyclobutyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 169169260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).