1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine

C13H17N3O — CID 19625854

IUPAC1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
SMILESCCn1cc(NCc2ccccc2OC)cn1
InChIInChI=1S/C13H17N3O/c1-3-16-10-12(9-15-16)14-8-11-6-4-5-7-13(11)17-2/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyMMHKWWSJGZQAAZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.52
Rot. Bonds5

About 1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine

1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine (PubChem CID 19625854) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
PubChem CID19625854
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
SMILESCCn1cc(NCc2ccccc2OC)cn1
InChIInChI=1S/C13H17N3O/c1-3-16-10-12(9-15-16)14-8-11-6-4-5-7-13(11)17-2/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyMMHKWWSJGZQAAZ-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-difluoroethyl)-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 25247606
1-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]pyrazol-4-amine
CID 43776953
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 19625872
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine
CID 54939751
1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride
CID 126966436
N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine
CID 43543559
N-[(2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine
CID 43535024
1-ethyl-N-(2-phenylethyl)pyrazol-4-amine
CID 43543523
2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965558
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 19626405
1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine
CID 19625865

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine (CID 19625854) is 1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine is CCn1cc(NCc2ccccc2OC)cn1.
What is the InChIKey of 1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine?
The InChIKey is MMHKWWSJGZQAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-16-10-12(9-15-16)14-8-11-6-4-5-7-13(11)17-2/h4-7,9-10,14H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine?
1-ethyl-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.52, 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]pyrazol-4-amine is sourced from PubChem (CID 19625854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).