1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol

C18H26FN3O — CID 111119123

IUPAC1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNCC(O)C(C)(C)C
InChIInChI=1S/C18H26FN3O/c1-12-16(10-20-11-17(23)18(3,4)5)13(2)22(21-12)15-8-6-14(19)7-9-15/h6-9,17,20,23H,10-11H2,1-5H3
InChIKeyLWFUTCCVPCFSOL-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.12
Rot. Bonds5

About 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol

1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol (PubChem CID 111119123) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol
PubChem CID111119123
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNCC(O)C(C)(C)C
InChIInChI=1S/C18H26FN3O/c1-12-16(10-20-11-17(23)18(3,4)5)13(2)22(21-12)15-8-6-14(19)7-9-15/h6-9,17,20,23H,10-11H2,1-5H3
InChIKeyLWFUTCCVPCFSOL-UHFFFAOYSA-N
XLogP3.12
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol 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-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 47814711
2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]-4-methylpentanoic acid
CID 122073032
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122465
[2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol
CID 47626637
N-[[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760417
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 47009029
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64571084
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 119607523
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine
CID 134698262
1-cyclopropyl-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 63294865
4-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]butan-2-ol
CID 111336633
1-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine
CID 29151930

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol (CID 111119123) is 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol is Cc1nn(-c2ccc(F)cc2)c(C)c1CNCC(O)C(C)(C)C.
What is the InChIKey of 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol?
The InChIKey is LWFUTCCVPCFSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O/c1-12-16(10-20-11-17(23)18(3,4)5)13(2)22(21-12)15-8-6-14(19)7-9-15/h6-9,17,20,23H,10-11H2,1-5H3.
What are the key properties of 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol?
1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol has a molecular weight of 319.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 111119123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).