N-(cyclopropylmethyl)-2-methoxy-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine

C18H25N3O — CID 91765355

IUPACN-(cyclopropylmethyl)-2-methoxy-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCOCCN(Cc1cnn(-c2ccccc2C)c1)CC1CC1
InChIInChI=1S/C18H25N3O/c1-15-5-3-4-6-18(15)21-14-17(11-19-21)13-20(9-10-22-2)12-16-7-8-16/h3-6,11,14,16H,7-10,12-13H2,1-2H3
InChIKeyFVEHULYZJDQNLD-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.04
Rot. Bonds8

About N-(cyclopropylmethyl)-2-methoxy-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine

N-(cyclopropylmethyl)-2-methoxy-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 91765355) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methoxy-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methoxy-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID91765355
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(cyclopropylmethyl)-2-methoxy-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCOCCN(Cc1cnn(-c2ccccc2C)c1)CC1CC1
InChIInChI=1S/C18H25N3O/c1-15-5-3-4-6-18(15)21-14-17(11-19-21)13-20(9-10-22-2)12-16-7-8-16/h3-6,11,14,16H,7-10,12-13H2,1-2H3
InChIKeyFVEHULYZJDQNLD-UHFFFAOYSA-N
XLogP3.04
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methoxy-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-methoxy-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine (CID 91765355) is N-(cyclopropylmethyl)-2-methoxy-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methoxy-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-methoxy-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine is COCCN(Cc1cnn(-c2ccccc2C)c1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-methoxy-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is FVEHULYZJDQNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-15-5-3-4-6-18(15)21-14-17(11-19-21)13-20(9-10-22-2)12-16-7-8-16/h3-6,11,14,16H,7-10,12-13H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-methoxy-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
N-(cyclopropylmethyl)-2-methoxy-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 299.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methoxy-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 91765355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).