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

C9H13F2N3 — CID 130774935

IUPAC1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrazol-3-amine
SMILESCc1cn(CC2CC(F)(F)C2)nc1N
InChIInChI=1S/C9H13F2N3/c1-6-4-14(13-8(6)12)5-7-2-9(10,11)3-7/h4,7H,2-3,5H2,1H3,(H2,12,13)
InChIKeyUUQLYKOQNMTTGC-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.82
Rot. Bonds2

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

1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrazol-3-amine (PubChem CID 130774935) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrazol-3-amine
PubChem CID130774935
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrazol-3-amine
SMILESCc1cn(CC2CC(F)(F)C2)nc1N
InChIInChI=1S/C9H13F2N3/c1-6-4-14(13-8(6)12)5-7-2-9(10,11)3-7/h4,7H,2-3,5H2,1H3,(H2,12,13)
InChIKeyUUQLYKOQNMTTGC-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Butyl-4-Methyl-1H-Pyrazol-5-Amine
CID 21455559
4-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 45602148
1-(2,2-difluoroethyl)-4-methyl-1H-pyrazol-3-amine
CID 45602158
4-methyl-1-(propan-2-yl)-1H-pyrazol-3-amine
CID 45602180
1,4-dimethyl-1H-pyrazol-3-amine hydrochloride
CID 69704255
1,4-Dimethyl-1H-pyrazol-3-amine
CID 12847949
4-methyl-1-propyl-1H-pyrazol-3-amine
CID 45602181
1-cyclohexyl-4-methyl-1H-pyrazol-3-amine
CID 62678120
1-methyl-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 84107341
1-ethyl-4-methyl-1H-pyrazol-3-amine
CID 45602179
1-(2-Cyclopropyl-2,2-difluoroethyl)-4-methylpyrazole
CID 58496302
1-Pentyl-4-(trifluoromethyl)pyrazol-5-amine
CID 70407205

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrazol-3-amine?
The IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrazol-3-amine (CID 130774935) is 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrazol-3-amine?
The canonical SMILES for 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrazol-3-amine is Cc1cn(CC2CC(F)(F)C2)nc1N.
What is the InChIKey of 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrazol-3-amine?
The InChIKey is UUQLYKOQNMTTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-6-4-14(13-8(6)12)5-7-2-9(10,11)3-7/h4,7H,2-3,5H2,1H3,(H2,12,13).
What are the key properties of 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrazol-3-amine?
1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrazol-3-amine has a molecular weight of 201.22 g/mol, XLogP of 1.82, 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-methylpyrazol-3-amine is sourced from PubChem (CID 130774935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).