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

C11H15N5O2S — CID 43742059

IUPAC5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole
SMILESCc1[nH]ncc1CNc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C11H15N5O2S/c1-8-9(7-14-15-8)6-13-10-3-2-4-11(5-10)16-19(12,17)18/h2-5,7,13,16H,6H2,1H3,(H,14,15)(H2,12,17,18)
InChIKeyLDUYOIMJOVVATQ-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.95
Rot. Bonds5

About 5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole

5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole (PubChem CID 43742059) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole
PubChem CID43742059
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole
SMILESCc1[nH]ncc1CNc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C11H15N5O2S/c1-8-9(7-14-15-8)6-13-10-3-2-4-11(5-10)16-19(12,17)18/h2-5,7,13,16H,6H2,1H3,(H,14,15)(H2,12,17,18)
InChIKeyLDUYOIMJOVVATQ-UHFFFAOYSA-N
XLogP0.95
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745275
N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]cyclopropanecarboxamide
CID 43663572
2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
CID 80645661
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43663437
2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
CID 54868489
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43663501
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(propan-2-ylsulfanylmethyl)aniline
CID 75385519
2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine
CID 62749480
3-iodo-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43716345
1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
CID 61323721
3-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
CID 54982423
3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 60857834

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole?
The IUPAC name of 5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole (CID 43742059) is 5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole.
What is the SMILES notation for 5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole?
The canonical SMILES for 5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole is Cc1[nH]ncc1CNc1cccc(NS(N)(=O)=O)c1.
What is the InChIKey of 5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole?
The InChIKey is LDUYOIMJOVVATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-8-9(7-14-15-8)6-13-10-3-2-4-11(5-10)16-19(12,17)18/h2-5,7,13,16H,6H2,1H3,(H,14,15)(H2,12,17,18).
What are the key properties of 5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole?
5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole has a molecular weight of 281.34 g/mol, XLogP of 0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[3-(sulfamoylamino)anilino]methyl]-1H-pyrazole is sourced from PubChem (CID 43742059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).