1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride

C13H17ClN4O2S — CID 64778434

IUPAC1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(Cc2ccn(C3CCCCC3)n2)c1
InChIInChI=1S/C13H17ClN4O2S/c14-21(19,20)13-8-15-17(10-13)9-11-6-7-18(16-11)12-4-2-1-3-5-12/h6-8,10,12H,1-5,9H2
InChIKeyBBJBFGWQHABOHG-UHFFFAOYSA-N
MW328.83 g/mol
LogP2.56
Rot. Bonds4

About 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride

1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride (PubChem CID 64778434) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
PubChem CID64778434
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC Name1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(Cc2ccn(C3CCCCC3)n2)c1
InChIInChI=1S/C13H17ClN4O2S/c14-21(19,20)13-8-15-17(10-13)9-11-6-7-18(16-11)12-4-2-1-3-5-12/h6-8,10,12H,1-5,9H2
InChIKeyBBJBFGWQHABOHG-UHFFFAOYSA-N
XLogP2.56
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
CID 64778631
3-[[4-(chloromethyl)pyrazol-1-yl]methyl]-1-cyclohexylpyrazole
CID 64779298
3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole
CID 64777851
methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate
CID 163333274
4-(chloromethyl)-1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole
CID 64778866
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine
CID 64779259
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride (CID 64778434) is 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(Cc2ccn(C3CCCCC3)n2)c1.
What is the InChIKey of 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride?
The InChIKey is BBJBFGWQHABOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2S/c14-21(19,20)13-8-15-17(10-13)9-11-6-7-18(16-11)12-4-2-1-3-5-12/h6-8,10,12H,1-5,9H2.
What are the key properties of 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride?
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride has a molecular weight of 328.83 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 64778434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).