N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide

C15H16ClN5O2S — CID 3461470

IUPACN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cnn1C
InChIInChI=1S/C15H16ClN5O2S/c1-11-15(8-17-20(11)2)24(22,23)19-14-7-18-21(10-14)9-12-4-3-5-13(16)6-12/h3-8,10,19H,9H2,1-2H3
InChIKeyUQXJXLPATBSBLP-UHFFFAOYSA-N
MW365.85 g/mol
LogP2.43
Rot. Bonds5

About N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide

N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 3461470) has the molecular formula C15H16ClN5O2S and a molecular weight of 365.85 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID3461470
Molecular FormulaC15H16ClN5O2S
Molecular Weight365.85 g/mol
Exact Mass365.07
IUPAC NameN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cnn1C
InChIInChI=1S/C15H16ClN5O2S/c1-11-15(8-17-20(11)2)24(22,23)19-14-7-18-21(10-14)9-12-4-3-5-13(16)6-12/h3-8,10,19H,9H2,1-2H3
InChIKeyUQXJXLPATBSBLP-UHFFFAOYSA-N
XLogP2.43
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide (CID 3461470) is N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cnn1C.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is UQXJXLPATBSBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2S/c1-11-15(8-17-20(11)2)24(22,23)19-14-7-18-21(10-14)9-12-4-3-5-13(16)6-12/h3-8,10,19H,9H2,1-2H3.
What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide?
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 365.85 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 3461470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).