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

C13H17N3O — CID 84761591

IUPAC[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine
SMILESCCn1nc(-c2ccc(OC)cc2)cc1CN
InChIInChI=1S/C13H17N3O/c1-3-16-11(9-14)8-13(15-16)10-4-6-12(17-2)7-5-10/h4-8H,3,9,14H2,1-2H3
InChIKeyLENRSXUIILQPDG-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.04
Rot. Bonds4

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

[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine (PubChem CID 84761591) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine
PubChem CID84761591
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine
SMILESCCn1nc(-c2ccc(OC)cc2)cc1CN
InChIInChI=1S/C13H17N3O/c1-3-16-11(9-14)8-13(15-16)10-4-6-12(17-2)7-5-10/h4-8H,3,9,14H2,1-2H3
InChIKeyLENRSXUIILQPDG-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

[3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761577
[1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine
CID 84761660
5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271228
3-(4-methoxyphenyl)-1-propylpyrazol-5-amine
CID 61265330
4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 82445115
methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 15453538
[1-ethyl-3-(3-nitrophenyl)pyrazol-5-yl]methanamine
CID 84761582
[3-(2-ethoxyphenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761609
N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide
CID 84761606
(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)methanamine
CID 121211007
6-[5-(aminomethyl)-1-ethylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one
CID 84761603
2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 86762670

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine?
The IUPAC name of [1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine (CID 84761591) is [1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine.
What is the SMILES notation for [1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine?
The canonical SMILES for [1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine is CCn1nc(-c2ccc(OC)cc2)cc1CN.
What is the InChIKey of [1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine?
The InChIKey is LENRSXUIILQPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-16-11(9-14)8-13(15-16)10-4-6-12(17-2)7-5-10/h4-8H,3,9,14H2,1-2H3.
What are the key properties of [1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine?
[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-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-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine is sourced from PubChem (CID 84761591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).