1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride

C14H20ClN3O — CID 126966436

IUPAC1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride
SMILESCCn1cc(C)c(NCc2ccccc2OC)n1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-4-17-10-11(2)14(16-17)15-9-12-7-5-6-8-13(12)18-3;/h5-8,10H,4,9H2,1-3H3,(H,15,16);1H
InChIKeyXWFMJBDUWCMKJJ-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.25
Rot. Bonds5

About 1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride

1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride (PubChem CID 126966436) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride
PubChem CID126966436
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride
SMILESCCn1cc(C)c(NCc2ccccc2OC)n1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-4-17-10-11(2)14(16-17)15-9-12-7-5-6-8-13(12)18-3;/h5-8,10H,4,9H2,1-3H3,(H,15,16);1H
InChIKeyXWFMJBDUWCMKJJ-UHFFFAOYSA-N
XLogP3.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122168805
1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 19625854
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 19625239
3-amino-1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 60808107
1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126965584
4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
CID 55012041
N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122168202
1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
CID 126967481
N-[(2-methoxyphenyl)methyl]-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431901
2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80981869
N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8850825
N-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 975932

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride?
The IUPAC name of 1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride (CID 126966436) is 1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride is CCn1cc(C)c(NCc2ccccc2OC)n1.Cl.
What is the InChIKey of 1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride?
The InChIKey is XWFMJBDUWCMKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.ClH/c1-4-17-10-11(2)14(16-17)15-9-12-7-5-6-8-13(12)18-3;/h5-8,10H,4,9H2,1-3H3,(H,15,16);1H.
What are the key properties of 1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride?
1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126966436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).