1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonyl]-2-methylpropan-2-amine

C10H18ClN3O2S — CID 113470810

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonyl]-2-methylpropan-2-amine
SMILESCc1nn(C)c(Cl)c1CS(=O)(=O)CC(C)(C)N
InChIInChI=1S/C10H18ClN3O2S/c1-7-8(9(11)14(4)13-7)5-17(15,16)6-10(2,3)12/h5-6,12H2,1-4H3
InChIKeyGTFTUNGOMGZYEA-UHFFFAOYSA-N
MW279.79 g/mol
LogP1.03
Rot. Bonds4

About 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonyl]-2-methylpropan-2-amine

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonyl]-2-methylpropan-2-amine (PubChem CID 113470810) has the molecular formula C10H18ClN3O2S and a molecular weight of 279.79 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonyl]-2-methylpropan-2-amine
PubChem CID113470810
Molecular FormulaC10H18ClN3O2S
Molecular Weight279.79 g/mol
Exact Mass279.08
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonyl]-2-methylpropan-2-amine
SMILESCc1nn(C)c(Cl)c1CS(=O)(=O)CC(C)(C)N
InChIInChI=1S/C10H18ClN3O2S/c1-7-8(9(11)14(4)13-7)5-17(15,16)6-10(2,3)12/h5-6,12H2,1-4H3
InChIKeyGTFTUNGOMGZYEA-UHFFFAOYSA-N
XLogP1.03
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonylmethyl]-1-propyl-1,2,4-triazole
CID 167872981
3-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116592989
3-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-one
CID 116592681
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629590
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833904
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-hydroxy-4,4-dimethylpentan-2-one
CID 103456367
tert-butyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]propanoate
CID 75447083
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899547
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 113470301
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one
CID 116555894
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine
CID 105035109
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-methyl-3-propan-2-ylpentan-2-one
CID 114281965

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonyl]-2-methylpropan-2-amine (CID 113470810) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonyl]-2-methylpropan-2-amine is Cc1nn(C)c(Cl)c1CS(=O)(=O)CC(C)(C)N.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonyl]-2-methylpropan-2-amine?
The InChIKey is GTFTUNGOMGZYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S/c1-7-8(9(11)14(4)13-7)5-17(15,16)6-10(2,3)12/h5-6,12H2,1-4H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonyl]-2-methylpropan-2-amine?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonyl]-2-methylpropan-2-amine has a molecular weight of 279.79 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 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)methylsulfonyl]-2-methylpropan-2-amine is sourced from PubChem (CID 113470810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).