N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine

C20H33N5O3S — CID 45189774

IUPACN-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1cnc(S(=O)(=O)CC2CCCO2)n1CC(C)C
InChIInChI=1S/C20H33N5O3S/c1-4-23(10-11-24-9-6-8-22-24)15-18-13-21-20(25(18)14-17(2)3)29(26,27)16-19-7-5-12-28-19/h6,8-9,13,17,19H,4-5,7,10-12,14-16H2,1-3H3
InChIKeyYBWYZPZVTHVLJQ-UHFFFAOYSA-N
MW423.58 g/mol
LogP2.21
Rot. Bonds11

About N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine

N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine (PubChem CID 45189774) has the molecular formula C20H33N5O3S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
PubChem CID45189774
Molecular FormulaC20H33N5O3S
Molecular Weight423.58 g/mol
Exact Mass423.23
IUPAC NameN-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1cnc(S(=O)(=O)CC2CCCO2)n1CC(C)C
InChIInChI=1S/C20H33N5O3S/c1-4-23(10-11-24-9-6-8-22-24)15-18-13-21-20(25(18)14-17(2)3)29(26,27)16-19-7-5-12-28-19/h6,8-9,13,17,19H,4-5,7,10-12,14-16H2,1-3H3
InChIKeyYBWYZPZVTHVLJQ-UHFFFAOYSA-N
XLogP2.21
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]ethanamine
CID 45225373
N-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine
CID 29026509
N-methyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]cyclohexanamine
CID 45247263
N-methyl-N-[[3-(2-methylpropyl)-2-[[(2S)-oxolan-2-yl]methylsulfonyl]imidazol-4-yl]methyl]-2-phenoxyethanamine
CID 25285935
N-methyl-N-[[3-(2-methylpropyl)-2-[[(2S)-oxolan-2-yl]methylsulfonyl]imidazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 26413119
N-methyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-1-thiophen-2-ylmethanamine
CID 45230790
N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N-ethyl-2-pyrrolidin-1-ylethanamine
CID 45243274
N,N,N'-triethyl-N'-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]ethane-1,2-diamine
CID 29023879
4-methoxy-1-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]piperidine
CID 45244329
N-benzyl-N-[[2-(cyclopropylmethylsulfonyl)-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]ethanamine
CID 42097521
N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 25282632
[3-methyl-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methanol
CID 154739923

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine (CID 45189774) is N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine is CCN(CCn1cccn1)Cc1cnc(S(=O)(=O)CC2CCCO2)n1CC(C)C.
What is the InChIKey of N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is YBWYZPZVTHVLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3S/c1-4-23(10-11-24-9-6-8-22-24)15-18-13-21-20(25(18)14-17(2)3)29(26,27)16-19-7-5-12-28-19/h6,8-9,13,17,19H,4-5,7,10-12,14-16H2,1-3H3.
What are the key properties of N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine?
N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 423.58 g/mol, XLogP of 2.21, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 45189774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).