N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

C11H15N5O2S — CID 47268220

IUPACN-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCn1ccnc1CN(C1CC1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H15N5O2S/c1-15-5-4-12-11(15)8-16(9-2-3-9)19(17,18)10-6-13-14-7-10/h4-7,9H,2-3,8H2,1H3,(H,13,14)
InChIKeyIYYPHBXZYPDSRS-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.50
Rot. Bonds5

About N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 47268220) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID47268220
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCn1ccnc1CN(C1CC1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H15N5O2S/c1-15-5-4-12-11(15)8-16(9-2-3-9)19(17,18)10-6-13-14-7-10/h4-7,9H,2-3,8H2,1H3,(H,13,14)
InChIKeyIYYPHBXZYPDSRS-UHFFFAOYSA-N
XLogP0.50
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 47268220) is N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is Cn1ccnc1CN(C1CC1)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is IYYPHBXZYPDSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-15-5-4-12-11(15)8-16(9-2-3-9)19(17,18)10-6-13-14-7-10/h4-7,9H,2-3,8H2,1H3,(H,13,14).
What are the key properties of N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47268220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).