3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline

C17H26N4 — CID 103720547

IUPAC3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline
SMILESCCN(CC)Cc1cccc(NCc2cnn(CC)c2)c1
InChIInChI=1S/C17H26N4/c1-4-20(5-2)13-15-8-7-9-17(10-15)18-11-16-12-19-21(6-3)14-16/h7-10,12,14,18H,4-6,11,13H2,1-3H3
InChIKeyPVPZDTAWGMDZOK-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.36
Rot. Bonds8

About 3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline

3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline (PubChem CID 103720547) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline
PubChem CID103720547
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline
SMILESCCN(CC)Cc1cccc(NCc2cnn(CC)c2)c1
InChIInChI=1S/C17H26N4/c1-4-20(5-2)13-15-8-7-9-17(10-15)18-11-16-12-19-21(6-3)14-16/h7-10,12,14,18H,4-6,11,13H2,1-3H3
InChIKeyPVPZDTAWGMDZOK-UHFFFAOYSA-N
XLogP3.36
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 62126525
N-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 103818746
3-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66398542
N-[(4-chlorophenyl)methyl]-3-(diethylaminomethyl)aniline
CID 43435845
3-(diethylaminomethyl)-N-[(3-fluorophenyl)methyl]aniline
CID 43727006
tert-butyl N-[3-[(1-ethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 107239945
1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378214
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126887
6-[[3-(diethylaminomethyl)anilino]methyl]pyridin-3-ol
CID 79781685
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxyaniline
CID 71982518
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
3-chloro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818064

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline (CID 103720547) is 3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline is CCN(CC)Cc1cccc(NCc2cnn(CC)c2)c1.
What is the InChIKey of 3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline?
The InChIKey is PVPZDTAWGMDZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-20(5-2)13-15-8-7-9-17(10-15)18-11-16-12-19-21(6-3)14-16/h7-10,12,14,18H,4-6,11,13H2,1-3H3.
What are the key properties of 3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline?
3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline has a molecular weight of 286.42 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-N-[(1-ethylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 103720547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).