N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine

C21H29N5O2S — CID 25282632

IUPACN-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1
InChIInChI=1S/C21H29N5O2S/c1-3-24(15-16-25-13-8-12-23-25)18-20-17-22-21(29(2,27)28)26(20)14-7-11-19-9-5-4-6-10-19/h4-6,8-10,12-13,17H,3,7,11,14-16,18H2,1-2H3
InChIKeyLNIRPQLIHOSZKS-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.64
Rot. Bonds11

About N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine

N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine (PubChem CID 25282632) has the molecular formula C21H29N5O2S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
PubChem CID25282632
Molecular FormulaC21H29N5O2S
Molecular Weight415.56 g/mol
Exact Mass415.20
IUPAC NameN-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1
InChIInChI=1S/C21H29N5O2S/c1-3-24(15-16-25-13-8-12-23-25)18-20-17-22-21(29(2,27)28)26(20)14-7-11-19-9-5-4-6-10-19/h4-6,8-10,12-13,17H,3,7,11,14-16,18H2,1-2H3
InChIKeyLNIRPQLIHOSZKS-UHFFFAOYSA-N
XLogP2.64
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine (CID 25282632) is N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine is CCN(CCn1cccn1)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1.
What is the InChIKey of N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is LNIRPQLIHOSZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2S/c1-3-24(15-16-25-13-8-12-23-25)18-20-17-22-21(29(2,27)28)26(20)14-7-11-19-9-5-4-6-10-19/h4-6,8-10,12-13,17H,3,7,11,14-16,18H2,1-2H3.
What are the key properties of N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine?
N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 415.56 g/mol, XLogP of 2.64, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 25282632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).