4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride

C10H19ClFN3O — CID 126965357

IUPAC4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride
SMILESCc1nn(C)c(F)c1CNCCCCO.Cl
InChIInChI=1S/C10H18FN3O.ClH/c1-8-9(10(11)14(2)13-8)7-12-5-3-4-6-15;/h12,15H,3-7H2,1-2H3;1H
InChIKeyFYDHPVRNWTYNDT-UHFFFAOYSA-N
MW251.73 g/mol
LogP1.15
Rot. Bonds6

About 4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride

4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride (PubChem CID 126965357) has the molecular formula C10H19ClFN3O and a molecular weight of 251.73 g/mol. Its IUPAC name is 4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride
PubChem CID126965357
Molecular FormulaC10H19ClFN3O
Molecular Weight251.73 g/mol
Exact Mass251.12
IUPAC Name4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride
SMILESCc1nn(C)c(F)c1CNCCCCO.Cl
InChIInChI=1S/C10H18FN3O.ClH/c1-8-9(10(11)14(2)13-8)7-12-5-3-4-6-15;/h12,15H,3-7H2,1-2H3;1H
InChIKeyFYDHPVRNWTYNDT-UHFFFAOYSA-N
XLogP1.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.73
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride 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

N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxypropan-1-amine
CID 122165875
3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126965471
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 122165886
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide
CID 51105059
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
CID 122169118
N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]heptan-1-amine
CID 122165932
2-[3,5-dimethyl-4-[(pentylamino)methyl]pyrazol-1-yl]ethanol
CID 110905500
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]butan-1-amine
CID 106844376
3-[cyclobutyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]propan-1-ol
CID 102864776
5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107303026
N'-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 113410291

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride?
The IUPAC name of 4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride (CID 126965357) is 4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride.
What is the SMILES notation for 4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride?
The canonical SMILES for 4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride is Cc1nn(C)c(F)c1CNCCCCO.Cl.
What is the InChIKey of 4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride?
The InChIKey is FYDHPVRNWTYNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3O.ClH/c1-8-9(10(11)14(2)13-8)7-12-5-3-4-6-15;/h12,15H,3-7H2,1-2H3;1H.
What are the key properties of 4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride?
4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride has a molecular weight of 251.73 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride is sourced from PubChem (CID 126965357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).