N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline

C16H21N3 — CID 86806790

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline
SMILESC=CCN(Cc1cn(C)nc1CC)c1ccccc1
InChIInChI=1S/C16H21N3/c1-4-11-19(15-9-7-6-8-10-15)13-14-12-18(3)17-16(14)5-2/h4,6-10,12H,1,5,11,13H2,2-3H3
InChIKeyOAMQUNWJRPXGJO-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.18
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline (PubChem CID 86806790) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline
PubChem CID86806790
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline
SMILESC=CCN(Cc1cn(C)nc1CC)c1ccccc1
InChIInChI=1S/C16H21N3/c1-4-11-19(15-9-7-6-8-10-15)13-14-12-18(3)17-16(14)5-2/h4,6-10,12H,1,5,11,13H2,2-3H3
InChIKeyOAMQUNWJRPXGJO-UHFFFAOYSA-N
XLogP3.18
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol
CID 70317001
N-prop-2-enyl-N-propylaniline;hydrochloride
CID 131737394
2-[(3-ethyl-1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 112671444
3-benzyl-4-ethyl-1-methylpyrazole
CID 121277938
(E)-4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]but-2-enoic acid
CID 103262659
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine
CID 115885655
3-[tert-butyl-[(3-ethyl-1-methylpyrazol-4-yl)methyl]amino]propanoic acid
CID 112671401
3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine
CID 103908973
3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole
CID 112671869
(2R)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N,2-dimethylbutan-1-amine
CID 97335185
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-phenoxyethanamine
CID 112549164
6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133444836

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline (CID 86806790) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline is C=CCN(Cc1cn(C)nc1CC)c1ccccc1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline?
The InChIKey is OAMQUNWJRPXGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-11-19(15-9-7-6-8-10-15)13-14-12-18(3)17-16(14)5-2/h4,6-10,12H,1,5,11,13H2,2-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline has a molecular weight of 255.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-prop-2-enylaniline is sourced from PubChem (CID 86806790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).