3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine

C13H17N3O — CID 82082157

IUPAC3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine
SMILESCCc1cccc(OCc2cc(N)n(C)n2)c1
InChIInChI=1S/C13H17N3O/c1-3-10-5-4-6-12(7-10)17-9-11-8-13(14)16(2)15-11/h4-8H,3,9,14H2,1-2H3
InChIKeyDNWDWIDOBFLRCW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.14
Rot. Bonds4

About 3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine

3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine (PubChem CID 82082157) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine
PubChem CID82082157
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine
SMILESCCc1cccc(OCc2cc(N)n(C)n2)c1
InChIInChI=1S/C13H17N3O/c1-3-10-5-4-6-12(7-10)17-9-11-8-13(14)16(2)15-11/h4-8H,3,9,14H2,1-2H3
InChIKeyDNWDWIDOBFLRCW-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82083972
6-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 79239703
3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82079978
3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine
CID 82085161
2-chloro-6-[(3-ethylphenoxy)methyl]pyridine
CID 79240680
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866670
3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine
CID 82087820
4-[(3-ethylphenoxy)methyl]-1-phenyltriazole
CID 70911020
1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117216049
N-ethyl-6-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 79239613
1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117215894
3-[(3-ethylphenoxy)methyl]-2-fluoroaniline
CID 107347892

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine (CID 82082157) is 3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine is CCc1cccc(OCc2cc(N)n(C)n2)c1.
What is the InChIKey of 3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine?
The InChIKey is DNWDWIDOBFLRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-10-5-4-6-12(7-10)17-9-11-8-13(14)16(2)15-11/h4-8H,3,9,14H2,1-2H3.
What are the key properties of 3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine?
3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine has a molecular weight of 231.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 82082157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).