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

C9H13F2N3 — CID 131206016

IUPAC1-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1CC1CC(F)(F)C1
InChIInChI=1S/C9H13F2N3/c1-6-2-8(12)13-14(6)5-7-3-9(10,11)4-7/h2,7H,3-5H2,1H3,(H2,12,13)
InChIKeyDIBNKGVHBSDNNT-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.82
Rot. Bonds2

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

1-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazol-3-amine (PubChem CID 131206016) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazol-3-amine
PubChem CID131206016
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name1-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1CC1CC(F)(F)C1
InChIInChI=1S/C9H13F2N3/c1-6-2-8(12)13-14(6)5-7-3-9(10,11)4-7/h2,7H,3-5H2,1H3,(H2,12,13)
InChIKeyDIBNKGVHBSDNNT-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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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazol-3-amine (CID 131206016) is 1-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazol-3-amine is Cc1cc(N)nn1CC1CC(F)(F)C1.
What is the InChIKey of 1-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is DIBNKGVHBSDNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-6-2-8(12)13-14(6)5-7-3-9(10,11)4-7/h2,7H,3-5H2,1H3,(H2,12,13).
What are the key properties of 1-[(3,3-difluorocyclobutyl)methyl]-5-methylpyrazol-3-amine?
1-[(3,3-difluorocyclobutyl)methyl]-5-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]-5-methylpyrazol-3-amine is sourced from PubChem (CID 131206016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).