N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

C15H24ClN5O — CID 46983106

IUPACN-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCc1nn(C)c(Cl)c1CN(CCOC)Cc1cnn(C)c1
InChIInChI=1S/C15H24ClN5O/c1-5-14-13(15(16)20(3)18-14)11-21(6-7-22-4)10-12-8-17-19(2)9-12/h8-9H,5-7,10-11H2,1-4H3
InChIKeyYYGOLUMJLNRUMZ-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.02
Rot. Bonds8

About N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 46983106) has the molecular formula C15H24ClN5O and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID46983106
Molecular FormulaC15H24ClN5O
Molecular Weight325.84 g/mol
Exact Mass325.17
IUPAC NameN-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCc1nn(C)c(Cl)c1CN(CCOC)Cc1cnn(C)c1
InChIInChI=1S/C15H24ClN5O/c1-5-14-13(15(16)20(3)18-14)11-21(6-7-22-4)10-12-8-17-19(2)9-12/h8-9H,5-7,10-11H2,1-4H3
InChIKeyYYGOLUMJLNRUMZ-UHFFFAOYSA-N
XLogP2.02
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (CID 46983106) is N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is CCc1nn(C)c(Cl)c1CN(CCOC)Cc1cnn(C)c1.
What is the InChIKey of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is YYGOLUMJLNRUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5O/c1-5-14-13(15(16)20(3)18-14)11-21(6-7-22-4)10-12-8-17-19(2)9-12/h8-9H,5-7,10-11H2,1-4H3.
What are the key properties of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 325.84 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 46983106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).