1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine

C14H17N3O — CID 43534816

IUPAC1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine
SMILESC=CCOc1ccc(CNc2cnn(C)c2)cc1
InChIInChI=1S/C14H17N3O/c1-3-8-18-14-6-4-12(5-7-14)9-15-13-10-16-17(2)11-13/h3-7,10-11,15H,1,8-9H2,2H3
InChIKeyUASWJYGVOUAPNW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.60
Rot. Bonds6

About 1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine

1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine (PubChem CID 43534816) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine
PubChem CID43534816
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine
SMILESC=CCOc1ccc(CNc2cnn(C)c2)cc1
InChIInChI=1S/C14H17N3O/c1-3-8-18-14-6-4-12(5-7-14)9-15-13-10-16-17(2)11-13/h3-7,10-11,15H,1,8-9H2,2H3
InChIKeyUASWJYGVOUAPNW-UHFFFAOYSA-N
XLogP2.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[(1-methylpyrazol-4-yl)amino]methyl]phenoxy]acetonitrile
CID 43776610
4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 29045466
3,4-dichloro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 40603028
3,5-dichloro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 28548817
2-(4-methylpyrazol-1-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 56780994
2-[4-[(4-prop-2-enoxyphenyl)methylamino]phenyl]ethanol
CID 61238423
N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride
CID 126966280
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 115989461
1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine
CID 43543347
N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine
CID 43776698
3-chloro-4-fluoro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 28830718
1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
CID 122168086

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine (CID 43534816) is 1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine is C=CCOc1ccc(CNc2cnn(C)c2)cc1.
What is the InChIKey of 1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine?
The InChIKey is UASWJYGVOUAPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-8-18-14-6-4-12(5-7-14)9-15-13-10-16-17(2)11-13/h3-7,10-11,15H,1,8-9H2,2H3.
What are the key properties of 1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine?
1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 43534816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).