[1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine

C13H17N3O — CID 105489897

IUPAC[1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine
SMILESCCn1ncc(CN)c1-c1cccc(OC)c1
InChIInChI=1S/C13H17N3O/c1-3-16-13(11(8-14)9-15-16)10-5-4-6-12(7-10)17-2/h4-7,9H,3,8,14H2,1-2H3
InChIKeyOKEQKTKECLDBJE-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.04
Rot. Bonds4

About [1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine

[1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine (PubChem CID 105489897) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine
PubChem CID105489897
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine
SMILESCCn1ncc(CN)c1-c1cccc(OC)c1
InChIInChI=1S/C13H17N3O/c1-3-16-13(11(8-14)9-15-16)10-5-4-6-12(7-10)17-2/h4-7,9H,3,8,14H2,1-2H3
InChIKeyOKEQKTKECLDBJE-UHFFFAOYSA-N
XLogP2.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 105469022
[1-(3-methoxyphenyl)-5-propylpyrazol-4-yl]methanamine
CID 114798972
[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 79487408
5-(3-methoxyphenyl)-1-methylpyrazol-4-ol
CID 105456123
1-ethyl-5-(3-methoxyphenyl)triazole-4-carbonitrile
CID 82207275
[5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205137
1-ethyl-5-(4-methoxyphenyl)pyrazol-4-amine
CID 105471347
[2-(3-methoxyphenyl)-3-pyridinyl]methanamine
CID 82508828
1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine
CID 117217960
[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine
CID 82207885
5-(3-methoxyphenyl)-1-methylpyrazole-4-carbaldehyde
CID 83821629

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine (CID 105489897) is [1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine is CCn1ncc(CN)c1-c1cccc(OC)c1.
What is the InChIKey of [1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine?
The InChIKey is OKEQKTKECLDBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-16-13(11(8-14)9-15-16)10-5-4-6-12(7-10)17-2/h4-7,9H,3,8,14H2,1-2H3.
What are the key properties of [1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine?
[1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 105489897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).