N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide

C11H15N5O2S — CID 122558098

IUPACN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1(Cn2ccnc2)CC1)c1cn[nH]c1
InChIInChI=1S/C11H15N5O2S/c17-19(18,10-5-13-14-6-10)15-7-11(1-2-11)8-16-4-3-12-9-16/h3-6,9,15H,1-2,7-8H2,(H,13,14)
InChIKeyKUKXHHLTXXHZID-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.36
Rot. Bonds6

About N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide

N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 122558098) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide
PubChem CID122558098
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1(Cn2ccnc2)CC1)c1cn[nH]c1
InChIInChI=1S/C11H15N5O2S/c17-19(18,10-5-13-14-6-10)15-7-11(1-2-11)8-16-4-3-12-9-16/h3-6,9,15H,1-2,7-8H2,(H,13,14)
InChIKeyKUKXHHLTXXHZID-UHFFFAOYSA-N
XLogP0.36
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide (CID 122558098) is N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(NCC1(Cn2ccnc2)CC1)c1cn[nH]c1.
What is the InChIKey of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is KUKXHHLTXXHZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c17-19(18,10-5-13-14-6-10)15-7-11(1-2-11)8-16-4-3-12-9-16/h3-6,9,15H,1-2,7-8H2,(H,13,14).
What are the key properties of N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide?
N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 122558098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).