N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

C13H19N5O2S — CID 60959116

IUPACN-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(Cc1nccn1C)C1CC1
InChIInChI=1S/C13H19N5O2S/c1-9-13(10(2)16-15-9)21(19,20)18(11-4-5-11)8-12-14-6-7-17(12)3/h6-7,11H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyNFWNZHABAXZCBA-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.11
Rot. Bonds5

About N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 60959116) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID60959116
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC NameN-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(Cc1nccn1C)C1CC1
InChIInChI=1S/C13H19N5O2S/c1-9-13(10(2)16-15-9)21(19,20)18(11-4-5-11)8-12-14-6-7-17(12)3/h6-7,11H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyNFWNZHABAXZCBA-UHFFFAOYSA-N
XLogP1.11
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 60959116) is N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(Cc1nccn1C)C1CC1.
What is the InChIKey of N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is NFWNZHABAXZCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-13(10(2)16-15-9)21(19,20)18(11-4-5-11)8-12-14-6-7-17(12)3/h6-7,11H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60959116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).