1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol

C11H20ClN3O — CID 115621471

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1c(C)nn(C)c1Cl
InChIInChI=1S/C11H20ClN3O/c1-5-11(3,16)7-13-6-9-8(2)14-15(4)10(9)12/h13,16H,5-7H2,1-4H3
InChIKeyVZILXHUZQBALPX-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.63
Rot. Bonds5

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

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol (PubChem CID 115621471) has the molecular formula C11H20ClN3O and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
PubChem CID115621471
Molecular FormulaC11H20ClN3O
Molecular Weight245.75 g/mol
Exact Mass245.13
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1c(C)nn(C)c1Cl
InChIInChI=1S/C11H20ClN3O/c1-5-11(3,16)7-13-6-9-8(2)14-15(4)10(9)12/h13,16H,5-7H2,1-4H3
InChIKeyVZILXHUZQBALPX-UHFFFAOYSA-N
XLogP1.63
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103839012
3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol
CID 111498743
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629590
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 115576248
2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol
CID 111449402
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]butan-1-amine
CID 106844376
2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid
CID 113436555
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 115576208
2-[1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750158
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide
CID 115584824
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 115576209
1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol
CID 111425320

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol (CID 115621471) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol is CCC(C)(O)CNCc1c(C)nn(C)c1Cl.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol?
The InChIKey is VZILXHUZQBALPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O/c1-5-11(3,16)7-13-6-9-8(2)14-15(4)10(9)12/h13,16H,5-7H2,1-4H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol has a molecular weight of 245.75 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 115621471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).