N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide

C13H19N5O2S — CID 125438295

IUPACN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N[C@H](c2nccn2C)C2CC2)cn1
InChIInChI=1S/C13H19N5O2S/c1-3-18-9-11(8-15-18)21(19,20)16-12(10-4-5-10)13-14-6-7-17(13)2/h6-10,12,16H,3-5H2,1-2H3/t12-/m0/s1
InChIKeyQRNUTFLDMKICRF-LBPRGKRZSA-N
MW309.40 g/mol
LogP1.07
Rot. Bonds6

About N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide

N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 125438295) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID125438295
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC NameN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N[C@H](c2nccn2C)C2CC2)cn1
InChIInChI=1S/C13H19N5O2S/c1-3-18-9-11(8-15-18)21(19,20)16-12(10-4-5-10)13-14-6-7-17(13)2/h6-10,12,16H,3-5H2,1-2H3/t12-/m0/s1
InChIKeyQRNUTFLDMKICRF-LBPRGKRZSA-N
XLogP1.07
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide (CID 125438295) is N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N[C@H](c2nccn2C)C2CC2)cn1.
What is the InChIKey of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is QRNUTFLDMKICRF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-18-9-11(8-15-18)21(19,20)16-12(10-4-5-10)13-14-6-7-17(13)2/h6-10,12,16H,3-5H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide?
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 309.40 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 125438295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).