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

C12H22ClN3OS — CID 106247178

IUPAC1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCCn1nc(C)c(Cl)c1CNCC(C)(O)CSC
InChIInChI=1S/C12H22ClN3OS/c1-5-16-10(11(13)9(2)15-16)6-14-7-12(3,17)8-18-4/h14,17H,5-8H2,1-4H3
InChIKeyLDNDKOBJLHZSQV-UHFFFAOYSA-N
MW291.85 g/mol
LogP2.07
Rot. Bonds7

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

1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106247178) has the molecular formula C12H22ClN3OS and a molecular weight of 291.85 g/mol. Its IUPAC name is 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106247178
Molecular FormulaC12H22ClN3OS
Molecular Weight291.85 g/mol
Exact Mass291.12
IUPAC Name1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCCn1nc(C)c(Cl)c1CNCC(C)(O)CSC
InChIInChI=1S/C12H22ClN3OS/c1-5-16-10(11(13)9(2)15-16)6-14-7-12(3,17)8-18-4/h14,17H,5-8H2,1-4H3
InChIKeyLDNDKOBJLHZSQV-UHFFFAOYSA-N
XLogP2.07
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186709
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186716
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-2-amine
CID 104828116
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 113293882
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pentan-2-ol
CID 113495772
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
CID 66001097
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol
CID 70851786
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115518676
3-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]ethyl]-1,1-dimethylurea
CID 83120996
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methyl-N-propylbut-3-en-1-amine
CID 102640914
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 115989668
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186937

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 106247178) is 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol is CCn1nc(C)c(Cl)c1CNCC(C)(O)CSC.
What is the InChIKey of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is LDNDKOBJLHZSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3OS/c1-5-16-10(11(13)9(2)15-16)6-14-7-12(3,17)8-18-4/h14,17H,5-8H2,1-4H3.
What are the key properties of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 291.85 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106247178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).