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

C13H19F2N3 — CID 169169378

IUPAC4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine
SMILESCn1nc(CC2CC(F)(F)C2)c(C2CCC2)c1N
InChIInChI=1S/C13H19F2N3/c1-18-12(16)11(9-3-2-4-9)10(17-18)5-8-6-13(14,15)7-8/h8-9H,2-7,16H2,1H3
InChIKeyLXMQRCMNFRIQIU-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.86
Rot. Bonds3

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

4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine (PubChem CID 169169378) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine
PubChem CID169169378
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine
SMILESCn1nc(CC2CC(F)(F)C2)c(C2CCC2)c1N
InChIInChI=1S/C13H19F2N3/c1-18-12(16)11(9-3-2-4-9)10(17-18)5-8-6-13(14,15)7-8/h8-9H,2-7,16H2,1H3
InChIKeyLXMQRCMNFRIQIU-UHFFFAOYSA-N
XLogP2.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine 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

1-Methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazol-5-amine
CID 22101084
5,5-difluoro-2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-amine
CID 165463441
3,4-Diethyl-1-methyl-1H-pyrazol-5-amine
CID 28064035
1,4-dimethyl-3-(pentafluoroethyl)-1H-pyrazole-5-amine
CID 58542574
2-Cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 144862318
3-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine
CID 155436160
3-(3,3-difluorocyclobutyl)-1-methyl-1H-pyrazol-5-amine
CID 165659882
4-(tert-butyl)-3-(3,3-difluorocyclobutyl)-1-methyl-1H-pyrazol-5-amine
CID 169169260
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169267
4-Cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine
CID 169169270
N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide
CID 169169308
4-cyclobutyl-5-(3,3-difluorocyclobutyl)-N,2-dimethylpyrazol-3-amine
CID 169169353

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine (CID 169169378) is 4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine is Cn1nc(CC2CC(F)(F)C2)c(C2CCC2)c1N.
What is the InChIKey of 4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine?
The InChIKey is LXMQRCMNFRIQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-18-12(16)11(9-3-2-4-9)10(17-18)5-8-6-13(14,15)7-8/h8-9H,2-7,16H2,1H3.
What are the key properties of 4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine?
4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine has a molecular weight of 255.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 169169378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).