5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine

C13H17N3O — CID 82082137

IUPAC5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine
SMILESCCc1ccc(OC)c(Cc2cc(N)n[nH]2)c1
InChIInChI=1S/C13H17N3O/c1-3-9-4-5-12(17-2)10(6-9)7-11-8-13(14)16-15-11/h4-6,8H,3,7H2,1-2H3,(H3,14,15,16)
InChIKeyUMUWPVOGGVDOEH-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.15
Rot. Bonds4

About 5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine

5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine (PubChem CID 82082137) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine
PubChem CID82082137
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine
SMILESCCc1ccc(OC)c(Cc2cc(N)n[nH]2)c1
InChIInChI=1S/C13H17N3O/c1-3-9-4-5-12(17-2)10(6-9)7-11-8-13(14)16-15-11/h4-6,8H,3,7H2,1-2H3,(H3,14,15,16)
InChIKeyUMUWPVOGGVDOEH-UHFFFAOYSA-N
XLogP2.15
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117338097
5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038777
[5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96665644
N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine
CID 115225717
4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924943
4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine
CID 112517862
5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine
CID 82084834
2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline
CID 82471882
5-(4-ethoxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 3480116
5-(3-ethylphenyl)-1H-pyrazol-3-amine
CID 117280888
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine (CID 82082137) is 5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine is CCc1ccc(OC)c(Cc2cc(N)n[nH]2)c1.
What is the InChIKey of 5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine?
The InChIKey is UMUWPVOGGVDOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-9-4-5-12(17-2)10(6-9)7-11-8-13(14)16-15-11/h4-6,8H,3,7H2,1-2H3,(H3,14,15,16).
What are the key properties of 5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine?
5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 82082137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).