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

C12H19F2N3 — CID 169169557

IUPAC2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-amine
SMILESCc1c(C2CC(F)(F)C2)nn(C(C)(C)C)c1N
InChIInChI=1S/C12H19F2N3/c1-7-9(8-5-12(13,14)6-8)16-17(10(7)15)11(2,3)4/h8H,5-6,15H2,1-4H3
InChIKeyUCHKMYMYZFBGRD-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.04
Rot. Bonds1

About 2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-amine

2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-amine (PubChem CID 169169557) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-amine
PubChem CID169169557
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-amine
SMILESCc1c(C2CC(F)(F)C2)nn(C(C)(C)C)c1N
InChIInChI=1S/C12H19F2N3/c1-7-9(8-5-12(13,14)6-8)16-17(10(7)15)11(2,3)4/h8H,5-6,15H2,1-4H3
InChIKeyUCHKMYMYZFBGRD-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4,5,6,7-tetrahydro-2H-indazol-3-amine
CID 65348605
5-(3,3-difluorocyclobutyl)-2-[(3E)-penta-1,3-dien-3-yl]pyrazol-3-amine
CID 129033673
(4S,5R)-1-tert-butyl-5-ethyl-6,6-difluoro-4-methyl-4,5-dihydrocyclopenta[c]pyrazol-3-amine
CID 134186318
5-Amino-1-tert-butyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole-4-carbonitrile
CID 139697487
2-Cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 144862318
(4S,5R)-1-tert-butyl-6,6-difluoro-4,5-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine
CID 155478072
1-Tert-butyl-5-cyclopentyl-4-fluoropyrazol-3-amine
CID 164879856
1-Tert-butyl-3-cyclopentyl-4-fluoropyrazol-5-amine
CID 164880254
4-(tert-butyl)-3-(3,3-difluorocyclobutyl)-1-methyl-1H-pyrazol-5-amine
CID 169169260
4-Cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine
CID 169169270
N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide
CID 169169295
[2-Tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamic acid;1,1,1-trifluoropropane
CID 169169338

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-amine?
The IUPAC name of 2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-amine (CID 169169557) is 2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for 2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-amine?
The canonical SMILES for 2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-amine is Cc1c(C2CC(F)(F)C2)nn(C(C)(C)C)c1N.
What is the InChIKey of 2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-amine?
The InChIKey is UCHKMYMYZFBGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-7-9(8-5-12(13,14)6-8)16-17(10(7)15)11(2,3)4/h8H,5-6,15H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-amine?
2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-amine has a molecular weight of 243.30 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 169169557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).