N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide

C12H18ClN5O2S — CID 19615053

IUPACN-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCC(C)Cn1cc(Cl)cn1
InChIInChI=1S/C12H18ClN5O2S/c1-9(6-18-7-11(13)5-14-18)4-15-21(19,20)12-8-17(3)16-10(12)2/h5,7-9,15H,4,6H2,1-3H3
InChIKeyJRAJNLLOUCUPAZ-UHFFFAOYSA-N
MW331.83 g/mol
LogP1.19
Rot. Bonds6

About N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 19615053) has the molecular formula C12H18ClN5O2S and a molecular weight of 331.83 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID19615053
Molecular FormulaC12H18ClN5O2S
Molecular Weight331.83 g/mol
Exact Mass331.09
IUPAC NameN-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCC(C)Cn1cc(Cl)cn1
InChIInChI=1S/C12H18ClN5O2S/c1-9(6-18-7-11(13)5-14-18)4-15-21(19,20)12-8-17(3)16-10(12)2/h5,7-9,15H,4,6H2,1-3H3
InChIKeyJRAJNLLOUCUPAZ-UHFFFAOYSA-N
XLogP1.19
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 19615053) is N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NCC(C)Cn1cc(Cl)cn1.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is JRAJNLLOUCUPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O2S/c1-9(6-18-7-11(13)5-14-18)4-15-21(19,20)12-8-17(3)16-10(12)2/h5,7-9,15H,4,6H2,1-3H3.
What are the key properties of N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 331.83 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19615053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).