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

C12H23ClN4O — CID 103839012

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCc1nn(C)c(Cl)c1CNCC(C)(O)CN(C)C
InChIInChI=1S/C12H23ClN4O/c1-9-10(11(13)17(5)15-9)6-14-7-12(2,18)8-16(3)4/h14,18H,6-8H2,1-5H3
InChIKeyOTGAKLYBRZPKKG-UHFFFAOYSA-N
MW274.80 g/mol
LogP0.78
Rot. Bonds6

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

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 103839012) has the molecular formula C12H23ClN4O and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID103839012
Molecular FormulaC12H23ClN4O
Molecular Weight274.80 g/mol
Exact Mass274.16
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCc1nn(C)c(Cl)c1CNCC(C)(O)CN(C)C
InChIInChI=1S/C12H23ClN4O/c1-9-10(11(13)17(5)15-9)6-14-7-12(2,18)8-16(3)4/h14,18H,6-8H2,1-5H3
InChIKeyOTGAKLYBRZPKKG-UHFFFAOYSA-N
XLogP0.78
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-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

Related Compounds

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 115621471
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
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide
CID 115584824
N,N,1,3-tetramethyl-4-[[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyrazol-5-amine
CID 51104959
1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol
CID 106147433
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]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 103839012) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol is Cc1nn(C)c(Cl)c1CNCC(C)(O)CN(C)C.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is OTGAKLYBRZPKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN4O/c1-9-10(11(13)17(5)15-9)6-14-7-12(2,18)8-16(3)4/h14,18H,6-8H2,1-5H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 274.80 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 103839012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).