1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine

C13H17N3O — CID 105489793

IUPAC1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cnn(-c2cccc(OC)c2)c1
InChIInChI=1S/C13H17N3O/c1-10(14-2)11-8-15-16(9-11)12-5-4-6-13(7-12)17-3/h4-10,14H,1-3H3
InChIKeyULJDJWSFCKZRHT-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.16
Rot. Bonds4

About 1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine

1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine (PubChem CID 105489793) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine
PubChem CID105489793
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cnn(-c2cccc(OC)c2)c1
InChIInChI=1S/C13H17N3O/c1-10(14-2)11-8-15-16(9-11)12-5-4-6-13(7-12)17-3/h4-10,14H,1-3H3
InChIKeyULJDJWSFCKZRHT-UHFFFAOYSA-N
XLogP2.16
TPSA39.08 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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
5-ethyl-N-[1-[1-(3-methoxyphenyl)pyrazol-4-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56907604
(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088954
4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
CID 117229524
1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine
CID 117167252
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230396
4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole
CID 114798689
1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine
CID 117167633
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine
CID 117229758
1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine
CID 117125240

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine (CID 105489793) is 1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine is CNC(C)c1cnn(-c2cccc(OC)c2)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine?
The InChIKey is ULJDJWSFCKZRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(14-2)11-8-15-16(9-11)12-5-4-6-13(7-12)17-3/h4-10,14H,1-3H3.
What are the key properties of 1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine?
1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 105489793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).