1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine

C10H15F2N3 — CID 171484747

IUPAC1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine
SMILESCc1c(N)nn(CC2CC(F)(F)C2)c1C
InChIInChI=1S/C10H15F2N3/c1-6-7(2)15(14-9(6)13)5-8-3-10(11,12)4-8/h8H,3-5H2,1-2H3,(H2,13,14)
InChIKeyFAJPFYNBZMAPRG-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.13
Rot. Bonds2

About 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine

1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine (PubChem CID 171484747) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine
PubChem CID171484747
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine
SMILESCc1c(N)nn(CC2CC(F)(F)C2)c1C
InChIInChI=1S/C10H15F2N3/c1-6-7(2)15(14-9(6)13)5-8-3-10(11,12)4-8/h8H,3-5H2,1-2H3,(H2,13,14)
InChIKeyFAJPFYNBZMAPRG-UHFFFAOYSA-N
XLogP2.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-trimethyl-2,3-dihydro-1H-pyrazol-3-imine
CID 4737030
1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 33783361
1-(2-Methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine
CID 79872620
5-Amino-1-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 100763031
2-Ethyl-4-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 118153032
[2,5-Dimethyl-4-(trifluoromethyl)pyrazol-3-yl]diazene
CID 123741441
1-[(3,3-Difluorocyclobutyl)methyl]-5-methyl-1H-pyrazol-3-amine
CID 131206016
2-cyclopentyl-N,4-dimethyl-5-(trifluoromethyl)pyrazol-3-amine
CID 139354629
1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine
CID 163864599
3-Amino-5-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carbonitrile
CID 170284746
1-[(3,3-Difluorocyclobutyl)methyl]-4-fluoro-5-methyl-3-nitropyrazole
CID 171484568
1-[(3,3-Difluorocyclobutyl)methyl]-4,5-dimethyl-3-nitropyrazole
CID 171484574

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine?
The IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine (CID 171484747) is 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine.
What is the SMILES notation for 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine?
The canonical SMILES for 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine is Cc1c(N)nn(CC2CC(F)(F)C2)c1C.
What is the InChIKey of 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine?
The InChIKey is FAJPFYNBZMAPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c1-6-7(2)15(14-9(6)13)5-8-3-10(11,12)4-8/h8H,3-5H2,1-2H3,(H2,13,14).
What are the key properties of 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine?
1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine has a molecular weight of 215.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 171484747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).