1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole

C13H19N5O2S — CID 103571457

IUPAC1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole
SMILESCCCn1cc(CNc2cccc(NS(N)(=O)=O)c2)cn1
InChIInChI=1S/C13H19N5O2S/c1-2-6-18-10-11(9-16-18)8-15-12-4-3-5-13(7-12)17-21(14,19)20/h3-5,7,9-10,15,17H,2,6,8H2,1H3,(H2,14,19,20)
InChIKeyVTFWRKRHFXRCFX-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.52
Rot. Bonds7

About 1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole

1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole (PubChem CID 103571457) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole.

Molecular Properties

Compound Name1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole
PubChem CID103571457
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC Name1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole
SMILESCCCn1cc(CNc2cccc(NS(N)(=O)=O)c2)cn1
InChIInChI=1S/C13H19N5O2S/c1-2-6-18-10-11(9-16-18)8-15-12-4-3-5-13(7-12)17-21(14,19)20/h3-5,7,9-10,15,17H,2,6,8H2,1H3,(H2,14,19,20)
InChIKeyVTFWRKRHFXRCFX-UHFFFAOYSA-N
XLogP1.52
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818064
4-methyl-3-methylsulfonyl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 75518391
3-(2-methylpropoxy)-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103720534
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol
CID 103571528
N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 103818160
3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818766
2-ethylsulfonyl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571450
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole
CID 62133510
4-nitro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571418
1-(pentylamino)-3-(sulfamoylamino)benzene
CID 43741926

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole?
The IUPAC name of 1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole (CID 103571457) is 1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole.
What is the SMILES notation for 1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole?
The canonical SMILES for 1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole is CCCn1cc(CNc2cccc(NS(N)(=O)=O)c2)cn1.
What is the InChIKey of 1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole?
The InChIKey is VTFWRKRHFXRCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-2-6-18-10-11(9-16-18)8-15-12-4-3-5-13(7-12)17-21(14,19)20/h3-5,7,9-10,15,17H,2,6,8H2,1H3,(H2,14,19,20).
What are the key properties of 1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole?
1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole has a molecular weight of 309.39 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole is sourced from PubChem (CID 103571457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).