N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine

C16H23N3O3 — CID 19624946

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCCn1cc(CNCc2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C16H23N3O3/c1-5-19-11-13(10-18-19)9-17-8-12-6-14(20-2)16(22-4)15(7-12)21-3/h6-7,10-11,17H,5,8-9H2,1-4H3
InChIKeyOKQVTRCVESZCSP-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.22
Rot. Bonds8

About N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine

N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine (PubChem CID 19624946) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
PubChem CID19624946
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCCn1cc(CNCc2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C16H23N3O3/c1-5-19-11-13(10-18-19)9-17-8-12-6-14(20-2)16(22-4)15(7-12)21-3/h6-7,10-11,17H,5,8-9H2,1-4H3
InChIKeyOKQVTRCVESZCSP-UHFFFAOYSA-N
XLogP2.22
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 43776973
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole
CID 62125862
N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 62127738
[4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-dimethoxyphenyl]methanol
CID 62125678
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 19625872
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxyaniline
CID 71982518
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351776
1-[(1-benzylpyrazol-4-yl)methyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111376173
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 104665276
1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967554

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine (CID 19624946) is N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine is CCn1cc(CNCc2cc(OC)c(OC)c(OC)c2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine?
The InChIKey is OKQVTRCVESZCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-5-19-11-13(10-18-19)9-17-8-12-6-14(20-2)16(22-4)15(7-12)21-3/h6-7,10-11,17H,5,8-9H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine?
N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine has a molecular weight of 305.38 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 19624946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).