1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol

C17H24ClN3O — CID 111336286

IUPAC1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol
SMILESCc1nn(Cc2ccccc2)c(Cl)c1CN(C)CC(C)(C)O
InChIInChI=1S/C17H24ClN3O/c1-13-15(11-20(4)12-17(2,3)22)16(18)21(19-13)10-14-8-6-5-7-9-14/h5-9,22H,10-12H2,1-4H3
InChIKeyBAPNDQQSJDLJRZ-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.10
Rot. Bonds6

About 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol

1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol (PubChem CID 111336286) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol
PubChem CID111336286
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol
SMILESCc1nn(Cc2ccccc2)c(Cl)c1CN(C)CC(C)(C)O
InChIInChI=1S/C17H24ClN3O/c1-13-15(11-20(4)12-17(2,3)22)16(18)21(19-13)10-14-8-6-5-7-9-14/h5-9,22H,10-12H2,1-4H3
InChIKeyBAPNDQQSJDLJRZ-UHFFFAOYSA-N
XLogP3.10
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-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

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol (CID 111336286) is 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol is Cc1nn(Cc2ccccc2)c(Cl)c1CN(C)CC(C)(C)O.
What is the InChIKey of 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is BAPNDQQSJDLJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-13-15(11-20(4)12-17(2,3)22)16(18)21(19-13)10-14-8-6-5-7-9-14/h5-9,22H,10-12H2,1-4H3.
What are the key properties of 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol?
1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 321.85 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 111336286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).