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

C12H15ClN4O2S — CID 64778631

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(Cc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C12H15ClN4O2S/c13-20(18,19)12-7-14-16(9-12)8-10-5-6-17(15-10)11-3-1-2-4-11/h5-7,9,11H,1-4,8H2
InChIKeyNJDVANMFFUCGCR-UHFFFAOYSA-N
MW314.80 g/mol
LogP2.17
Rot. Bonds4

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

1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride (PubChem CID 64778631) has the molecular formula C12H15ClN4O2S and a molecular weight of 314.80 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
PubChem CID64778631
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.80 g/mol
Exact Mass314.06
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(Cc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C12H15ClN4O2S/c13-20(18,19)12-7-14-16(9-12)8-10-5-6-17(15-10)11-3-1-2-4-11/h5-7,9,11H,1-4,8H2
InChIKeyNJDVANMFFUCGCR-UHFFFAOYSA-N
XLogP2.17
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
CID 64778434
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-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
CID 64778669
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
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde
CID 66407704
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride (CID 64778631) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(Cc2ccn(C3CCCC3)n2)c1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride?
The InChIKey is NJDVANMFFUCGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S/c13-20(18,19)12-7-14-16(9-12)8-10-5-6-17(15-10)11-3-1-2-4-11/h5-7,9,11H,1-4,8H2.
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride?
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride has a molecular weight of 314.80 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 64778631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).