5-(3,3-difluorobutyl)-1H-pyrazole

C7H10F2N2 — CID 141090057

IUPAC5-(3,3-difluorobutyl)-1H-pyrazole
SMILESCC(F)(F)CCc1ccn[nH]1
InChIInChI=1S/C7H10F2N2/c1-7(8,9)4-2-6-3-5-10-11-6/h3,5H,2,4H2,1H3,(H,10,11)
InChIKeyJATTUVNABWTPLX-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.00
Rot. Bonds3

About 5-(3,3-difluorobutyl)-1H-pyrazole

5-(3,3-difluorobutyl)-1H-pyrazole (PubChem CID 141090057) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 5-(3,3-difluorobutyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3,3-difluorobutyl)-1H-pyrazole
PubChem CID141090057
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name5-(3,3-difluorobutyl)-1H-pyrazole
SMILESCC(F)(F)CCc1ccn[nH]1
InChIInChI=1S/C7H10F2N2/c1-7(8,9)4-2-6-3-5-10-11-6/h3,5H,2,4H2,1H3,(H,10,11)
InChIKeyJATTUVNABWTPLX-UHFFFAOYSA-N
XLogP2.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(3,3-difluorobutyl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Betazole
CID 7741
Betazole Dihydrochloride
CID 67412
Betazole hydrochloride
CID 16051987
3-tert-butyl-1H-pyrazole
CID 139978
3-Cyclopropyl-1H-pyrazole
CID 7017816
3-Nonyl-1H-pyrazole
CID 24844218
3-propyl-1H-pyrazole
CID 201990
3-ethyl-1H-pyrazole
CID 498459
5-(2-chloroethyl)-1H-pyrazole
CID 433639
3-(3-chloropropyl)-1H-pyrazole
CID 15287070
3-(Heptafluoropropyl)-1H-pyrazole
CID 10376804
Pyrazole, 3-butyl-
CID 206968

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluorobutyl)-1H-pyrazole?
The IUPAC name of 5-(3,3-difluorobutyl)-1H-pyrazole (CID 141090057) is 5-(3,3-difluorobutyl)-1H-pyrazole.
What is the SMILES notation for 5-(3,3-difluorobutyl)-1H-pyrazole?
The canonical SMILES for 5-(3,3-difluorobutyl)-1H-pyrazole is CC(F)(F)CCc1ccn[nH]1.
What is the InChIKey of 5-(3,3-difluorobutyl)-1H-pyrazole?
The InChIKey is JATTUVNABWTPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c1-7(8,9)4-2-6-3-5-10-11-6/h3,5H,2,4H2,1H3,(H,10,11).
What are the key properties of 5-(3,3-difluorobutyl)-1H-pyrazole?
5-(3,3-difluorobutyl)-1H-pyrazole has a molecular weight of 160.17 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluorobutyl)-1H-pyrazole is sourced from PubChem (CID 141090057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).