N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine

C10H15F2N3O — CID 122166065

IUPACN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine
SMILESFC(F)n1nccc1CNCC1CCCO1
InChIInChI=1S/C10H15F2N3O/c11-10(12)15-8(3-4-14-15)6-13-7-9-2-1-5-16-9/h3-4,9-10,13H,1-2,5-7H2
InChIKeyVOZHFPGMVZFDKA-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.55
Rot. Bonds5

About N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine

N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 122166065) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine
PubChem CID122166065
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine
SMILESFC(F)n1nccc1CNCC1CCCO1
InChIInChI=1S/C10H15F2N3O/c11-10(12)15-8(3-4-14-15)6-13-7-9-2-1-5-16-9/h3-4,9-10,13H,1-2,5-7H2
InChIKeyVOZHFPGMVZFDKA-UHFFFAOYSA-N
XLogP1.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine 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-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126967597
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43663218
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 126965651
N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 3156818
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 100792161
1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrrol-2-yl)methyl]methanamine
CID 46784877
2-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 45093757
N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 4269997
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66162475
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124932035
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42281898
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51675631

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine (CID 122166065) is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine is FC(F)n1nccc1CNCC1CCCO1.
What is the InChIKey of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is VOZHFPGMVZFDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c11-10(12)15-8(3-4-14-15)6-13-7-9-2-1-5-16-9/h3-4,9-10,13H,1-2,5-7H2.
What are the key properties of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine?
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 231.25 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 122166065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).