1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide

C16H19N5O2S — CID 6469799

IUPAC1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide
SMILESCc1ccccc1Cn1cc(NS(=O)(=O)c2cn(C)nc2C)cn1
InChIInChI=1S/C16H19N5O2S/c1-12-6-4-5-7-14(12)9-21-10-15(8-17-21)19-24(22,23)16-11-20(3)18-13(16)2/h4-8,10-11,19H,9H2,1-3H3
InChIKeyJKYNTTZHUXSNAX-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.08
Rot. Bonds5

About 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide

1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide (PubChem CID 6469799) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide
PubChem CID6469799
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide
SMILESCc1ccccc1Cn1cc(NS(=O)(=O)c2cn(C)nc2C)cn1
InChIInChI=1S/C16H19N5O2S/c1-12-6-4-5-7-14(12)9-21-10-15(8-17-21)19-24(22,23)16-11-20(3)18-13(16)2/h4-8,10-11,19H,9H2,1-3H3
InChIKeyJKYNTTZHUXSNAX-UHFFFAOYSA-N
XLogP2.08
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide (CID 6469799) is 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide is Cc1ccccc1Cn1cc(NS(=O)(=O)c2cn(C)nc2C)cn1.
What is the InChIKey of 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide?
The InChIKey is JKYNTTZHUXSNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-12-6-4-5-7-14(12)9-21-10-15(8-17-21)19-24(22,23)16-11-20(3)18-13(16)2/h4-8,10-11,19H,9H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide?
1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide has a molecular weight of 345.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 6469799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).