4-chloro-3-methyl-1-propylpyrazole-5-sulfonyl chloride

C7H10Cl2N2O2S — CID 50896522

IUPAC4-chloro-3-methyl-1-propylpyrazole-5-sulfonyl chloride
SMILESCCCn1nc(C)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C7H10Cl2N2O2S/c1-3-4-11-7(14(9,12)13)6(8)5(2)10-11/h3-4H2,1-2H3
InChIKeyKMDHJXBCAGOOHK-UHFFFAOYSA-N
MW257.14 g/mol
LogP2.18
Rot. Bonds3

About 4-chloro-3-methyl-1-propylpyrazole-5-sulfonyl chloride

4-chloro-3-methyl-1-propylpyrazole-5-sulfonyl chloride (PubChem CID 50896522) has the molecular formula C7H10Cl2N2O2S and a molecular weight of 257.14 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-propylpyrazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-methyl-1-propylpyrazole-5-sulfonyl chloride
PubChem CID50896522
Molecular FormulaC7H10Cl2N2O2S
Molecular Weight257.14 g/mol
Exact Mass255.98
IUPAC Name4-chloro-3-methyl-1-propylpyrazole-5-sulfonyl chloride
SMILESCCCn1nc(C)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C7H10Cl2N2O2S/c1-3-4-11-7(14(9,12)13)6(8)5(2)10-11/h3-4H2,1-2H3
InChIKeyKMDHJXBCAGOOHK-UHFFFAOYSA-N
XLogP2.18
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.14
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-propylpyrazole-4-carbaldehyde
CID 6486756
4-chlorosulfonyl-5-methyl-1-propylpyrazole-3-carboxylic acid
CID 98463951
1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea
CID 19334062
3-methyl-5-(2-methylsulfonylethylsulfanyl)-1-propylpyrazol-4-amine
CID 66028474
3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride
CID 50944289
1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 79015779
1-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-propylthiourea
CID 19573221
1,4-dimethyl-3-nitropyrazole-5-sulfonyl chloride
CID 119031087
5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027996
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide
CID 66028394
1-methyl-3-propylpyrazole-5-sulfonyl chloride
CID 62409850
5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfonylmethyl]-1-propyl-1,2,4-triazole
CID 167872981

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-propylpyrazole-5-sulfonyl chloride?
The IUPAC name of 4-chloro-3-methyl-1-propylpyrazole-5-sulfonyl chloride (CID 50896522) is 4-chloro-3-methyl-1-propylpyrazole-5-sulfonyl chloride.
What is the SMILES notation for 4-chloro-3-methyl-1-propylpyrazole-5-sulfonyl chloride?
The canonical SMILES for 4-chloro-3-methyl-1-propylpyrazole-5-sulfonyl chloride is CCCn1nc(C)c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 4-chloro-3-methyl-1-propylpyrazole-5-sulfonyl chloride?
The InChIKey is KMDHJXBCAGOOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N2O2S/c1-3-4-11-7(14(9,12)13)6(8)5(2)10-11/h3-4H2,1-2H3.
What are the key properties of 4-chloro-3-methyl-1-propylpyrazole-5-sulfonyl chloride?
4-chloro-3-methyl-1-propylpyrazole-5-sulfonyl chloride has a molecular weight of 257.14 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-propylpyrazole-5-sulfonyl chloride is sourced from PubChem (CID 50896522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).