1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole

C10H12N4O2S — CID 112573677

IUPAC1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole
SMILESNS(=O)(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C10H12N4O2S/c11-17(15,16)13-10-4-2-9(3-5-10)8-14-7-1-6-12-14/h1-7,13H,8H2,(H2,11,15,16)
InChIKeyYKZGWKNRBKOKKJ-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.55
Rot. Bonds4

About 1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole

1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole (PubChem CID 112573677) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole
PubChem CID112573677
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole
SMILESNS(=O)(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C10H12N4O2S/c11-17(15,16)13-10-4-2-9(3-5-10)8-14-7-1-6-12-14/h1-7,13H,8H2,(H2,11,15,16)
InChIKeyYKZGWKNRBKOKKJ-UHFFFAOYSA-N
XLogP0.55
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 60934231
2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 55902750
3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205263
N-(1-ethylsulfonylpropan-2-yl)-4-(pyrazol-1-ylmethyl)aniline
CID 104663721
1-ethyl-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
CID 22205282
3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205258
N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 55814374
4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 51121436
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline
CID 54863485
1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119715469
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole?
The IUPAC name of 1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole (CID 112573677) is 1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole.
What is the SMILES notation for 1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole?
The canonical SMILES for 1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole is NS(=O)(=O)Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole?
The InChIKey is YKZGWKNRBKOKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c11-17(15,16)13-10-4-2-9(3-5-10)8-14-7-1-6-12-14/h1-7,13H,8H2,(H2,11,15,16).
What are the key properties of 1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole?
1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole has a molecular weight of 252.30 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole is sourced from PubChem (CID 112573677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).