N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylsulfamoyl]-1-phenylmethanamine

C16H24N4O2S — CID 56905920

IUPACN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylsulfamoyl]-1-phenylmethanamine
SMILESCCCn1nc(C)c(CNS(=O)(=O)NCc2ccccc2)c1C
InChIInChI=1S/C16H24N4O2S/c1-4-10-20-14(3)16(13(2)19-20)12-18-23(21,22)17-11-15-8-6-5-7-9-15/h5-9,17-18H,4,10-12H2,1-3H3
InChIKeyYXCSUHNTVJCVCI-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.03
Rot. Bonds8

About N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylsulfamoyl]-1-phenylmethanamine

N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylsulfamoyl]-1-phenylmethanamine (PubChem CID 56905920) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylsulfamoyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylsulfamoyl]-1-phenylmethanamine
PubChem CID56905920
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylsulfamoyl]-1-phenylmethanamine
SMILESCCCn1nc(C)c(CNS(=O)(=O)NCc2ccccc2)c1C
InChIInChI=1S/C16H24N4O2S/c1-4-10-20-14(3)16(13(2)19-20)12-18-23(21,22)17-11-15-8-6-5-7-9-15/h5-9,17-18H,4,10-12H2,1-3H3
InChIKeyYXCSUHNTVJCVCI-UHFFFAOYSA-N
XLogP2.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Difenzoquat metilsulfate
CID 39424
3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
E-55888
CID 24825775
1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 5303281
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 4961800
2-ethyl-3-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 24873261
3-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 24873384
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 6499784
1-((4-Fluorophenyl)methyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 573307
3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazole
CID 573288

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylsulfamoyl]-1-phenylmethanamine?
The IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylsulfamoyl]-1-phenylmethanamine (CID 56905920) is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylsulfamoyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylsulfamoyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylsulfamoyl]-1-phenylmethanamine is CCCn1nc(C)c(CNS(=O)(=O)NCc2ccccc2)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylsulfamoyl]-1-phenylmethanamine?
The InChIKey is YXCSUHNTVJCVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-4-10-20-14(3)16(13(2)19-20)12-18-23(21,22)17-11-15-8-6-5-7-9-15/h5-9,17-18H,4,10-12H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylsulfamoyl]-1-phenylmethanamine?
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylsulfamoyl]-1-phenylmethanamine has a molecular weight of 336.46 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylsulfamoyl]-1-phenylmethanamine is sourced from PubChem (CID 56905920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).