1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine

C14H19N3O — CID 82294764

IUPAC1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCCOc1ccc(Cn2nc(C)c(N)c2C)cc1
InChIInChI=1S/C14H19N3O/c1-4-18-13-7-5-12(6-8-13)9-17-11(3)14(15)10(2)16-17/h5-8H,4,9,15H2,1-3H3
InChIKeyVSMGNHTYAOYKED-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.53
Rot. Bonds4

About 1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine

1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine (PubChem CID 82294764) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine
PubChem CID82294764
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCCOc1ccc(Cn2nc(C)c(N)c2C)cc1
InChIInChI=1S/C14H19N3O/c1-4-18-13-7-5-12(6-8-13)9-17-11(3)14(15)10(2)16-17/h5-8H,4,9,15H2,1-3H3
InChIKeyVSMGNHTYAOYKED-UHFFFAOYSA-N
XLogP2.53
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine
CID 571135
1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
CID 45052778
1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
CID 90484280
4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid;hydrochloride
CID 90484252
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19337872
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-ethoxybenzenesulfonamide
CID 22201953
1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
CID 82285149
N-[1-(4-ethoxyphenyl)ethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18270907
3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 61311263
1-[(3-chloro-4-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine
CID 19618490
3-[(4-ethoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
CID 82301541
(4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61309101

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine (CID 82294764) is 1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine is CCOc1ccc(Cn2nc(C)c(N)c2C)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine?
The InChIKey is VSMGNHTYAOYKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-18-13-7-5-12(6-8-13)9-17-11(3)14(15)10(2)16-17/h5-8H,4,9,15H2,1-3H3.
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine?
1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 82294764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).