4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline

C14H20N4 — CID 62127965

IUPAC4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline
SMILESCCn1cc(CN(C)Cc2ccc(N)cc2)cn1
InChIInChI=1S/C14H20N4/c1-3-18-11-13(8-16-18)10-17(2)9-12-4-6-14(15)7-5-12/h4-8,11H,3,9-10,15H2,1-2H3
InChIKeyNAJAYDXCEORNHL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.12
Rot. Bonds5

About 4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline

4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline (PubChem CID 62127965) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline
PubChem CID62127965
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline
SMILESCCn1cc(CN(C)Cc2ccc(N)cc2)cn1
InChIInChI=1S/C14H20N4/c1-3-18-11-13(8-16-18)10-17(2)9-12-4-6-14(15)7-5-12/h4-8,11H,3,9-10,15H2,1-2H3
InChIKeyNAJAYDXCEORNHL-UHFFFAOYSA-N
XLogP2.12
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]benzoic acid
CID 62126061
4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
CID 43587265
1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 22194310
N'-[(1-ethylpyrazol-4-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79652366
2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76936309
1-(3-chloro-5-fluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 77079167
ethyl 3-[(1-ethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 55040533
1,4-diethylpyrazole;ethane
CID 143641951
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
2-chloro-4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]benzoic acid;2,2,2-trifluoroacetic acid
CID 167898185
1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 17277663
4-chloro-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466249

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline?
The IUPAC name of 4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline (CID 62127965) is 4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline.
What is the SMILES notation for 4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline?
The canonical SMILES for 4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline is CCn1cc(CN(C)Cc2ccc(N)cc2)cn1.
What is the InChIKey of 4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline?
The InChIKey is NAJAYDXCEORNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-18-11-13(8-16-18)10-17(2)9-12-4-6-14(15)7-5-12/h4-8,11H,3,9-10,15H2,1-2H3.
What are the key properties of 4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline?
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline is sourced from PubChem (CID 62127965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).