4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole

C21H34N4O2S — CID 55989026

IUPAC4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H34N4O2S/c1-18(2)11-14-24(15-12-19(3)4)28(26,27)23-13-10-20-16-22-25(17-20)21-8-6-5-7-9-21/h5-9,16-19,23H,10-15H2,1-4H3
InChIKeyILDIKOLVCKXCLN-UHFFFAOYSA-N
MW406.60 g/mol
LogP3.64
Rot. Bonds12

About 4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole

4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole (PubChem CID 55989026) has the molecular formula C21H34N4O2S and a molecular weight of 406.60 g/mol. Its IUPAC name is 4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole.

Molecular Properties

Compound Name4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole
PubChem CID55989026
Molecular FormulaC21H34N4O2S
Molecular Weight406.60 g/mol
Exact Mass406.24
IUPAC Name4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H34N4O2S/c1-18(2)11-14-24(15-12-19(3)4)28(26,27)23-13-10-20-16-22-25(17-20)21-8-6-5-7-9-21/h5-9,16-19,23H,10-15H2,1-4H3
InChIKeyILDIKOLVCKXCLN-UHFFFAOYSA-N
XLogP3.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine
CID 60760084
2,3,4,5,6-pentamethyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 18269364
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
2-methyl-1-(4-methylpentyl)-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111943708
5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 18148720
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606
N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 47045068
1-phenyl-4-propylpyrazole
CID 12902534
3-chloro-4-cyano-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 55903921
(2R)-2-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 94024990
1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine
CID 119122223

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole?
The IUPAC name of 4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole (CID 55989026) is 4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole.
What is the SMILES notation for 4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole?
The canonical SMILES for 4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole is CC(C)CCN(CCC(C)C)S(=O)(=O)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole?
The InChIKey is ILDIKOLVCKXCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2S/c1-18(2)11-14-24(15-12-19(3)4)28(26,27)23-13-10-20-16-22-25(17-20)21-8-6-5-7-9-21/h5-9,16-19,23H,10-15H2,1-4H3.
What are the key properties of 4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole?
4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole has a molecular weight of 406.60 g/mol, XLogP of 3.64, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(3-methylbutyl)sulfamoylamino]ethyl]-1-phenylpyrazole is sourced from PubChem (CID 55989026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).