N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride

C14H20ClN3O — CID 126966280

IUPACN-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride
SMILESCCOc1ccc(CNc2cnn(CC)c2)cc1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-3-17-11-13(10-16-17)15-9-12-5-7-14(8-6-12)18-4-2;/h5-8,10-11,15H,3-4,9H2,1-2H3;1H
InChIKeyGGFCCYWWRVKHQN-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.34
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride

N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride (PubChem CID 126966280) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride
PubChem CID126966280
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride
SMILESCCOc1ccc(CNc2cnn(CC)c2)cc1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-3-17-11-13(10-16-17)15-9-12-5-7-14(8-6-12)18-4-2;/h5-8,10-11,15H,3-4,9H2,1-2H3;1H
InChIKeyGGFCCYWWRVKHQN-UHFFFAOYSA-N
XLogP3.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine
CID 43543347
1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine
CID 43543348
4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
CID 19627559
1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
CID 122168086
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965409
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965183
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126887
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine
CID 54939751
2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62128291
methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate
CID 43777055

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride (CID 126966280) is N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride is CCOc1ccc(CNc2cnn(CC)c2)cc1.Cl.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride?
The InChIKey is GGFCCYWWRVKHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.ClH/c1-3-17-11-13(10-16-17)15-9-12-5-7-14(8-6-12)18-4-2;/h5-8,10-11,15H,3-4,9H2,1-2H3;1H.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride?
N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126966280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).