N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine

C14H18ClN3 — CID 84617889

IUPACN-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(-c2cccc(Cl)c2C)nc1C
InChIInChI=1S/C14H18ClN3/c1-4-16-8-12-9-18(17-11(12)3)14-7-5-6-13(15)10(14)2/h5-7,9,16H,4,8H2,1-3H3
InChIKeyNGXDACMZLDRNEO-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.25
Rot. Bonds4

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

N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine (PubChem CID 84617889) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
PubChem CID84617889
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(-c2cccc(Cl)c2C)nc1C
InChIInChI=1S/C14H18ClN3/c1-4-16-8-12-9-18(17-11(12)3)14-7-5-6-13(15)10(14)2/h5-7,9,16H,4,8H2,1-3H3
InChIKeyNGXDACMZLDRNEO-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine (CID 84617889) is N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine is CCNCc1cn(-c2cccc(Cl)c2C)nc1C.
What is the InChIKey of N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is NGXDACMZLDRNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-4-16-8-12-9-18(17-11(12)3)14-7-5-6-13(15)10(14)2/h5-7,9,16H,4,8H2,1-3H3.
What are the key properties of N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine?
N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 263.77 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 84617889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).