N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C16H24N4O2S — CID 4605994

IUPACN-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)c(C)c1
InChIInChI=1S/C16H24N4O2S/c1-6-20(7-2)14-8-9-15(11(3)10-14)19-23(21,22)16-12(4)17-18-13(16)5/h8-10,19H,6-7H2,1-5H3,(H,17,18)
InChIKeyZTVNTCPNINTNCD-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.98
Rot. Bonds6

About N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 4605994) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID4605994
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)c(C)c1
InChIInChI=1S/C16H24N4O2S/c1-6-20(7-2)14-8-9-15(11(3)10-14)19-23(21,22)16-12(4)17-18-13(16)5/h8-10,19H,6-7H2,1-5H3,(H,17,18)
InChIKeyZTVNTCPNINTNCD-UHFFFAOYSA-N
XLogP2.98
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 866901
N-(3,5-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 3240778
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]indoline hydrochloride
CID 6602882
N-(2,5-dimethylphenyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 3236338
N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 6602881
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydro-1H-indole
CID 866895
N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3237078
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 15990926
N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 122188535
N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 5047360
N-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 20851627
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 3590537

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 4605994) is N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ZTVNTCPNINTNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-6-20(7-2)14-8-9-15(11(3)10-14)19-23(21,22)16-12(4)17-18-13(16)5/h8-10,19H,6-7H2,1-5H3,(H,17,18).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 4605994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).