1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine

C14H19N3O — CID 116801665

IUPAC1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
SMILESCCn1cc(Oc2ccc(C(C)NC)cc2)cn1
InChIInChI=1S/C14H19N3O/c1-4-17-10-14(9-16-17)18-13-7-5-12(6-8-13)11(2)15-3/h5-11,15H,4H2,1-3H3
InChIKeyUFSICYBCPMRKME-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.98
Rot. Bonds5

About 1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine

1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine (PubChem CID 116801665) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
PubChem CID116801665
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
SMILESCCn1cc(Oc2ccc(C(C)NC)cc2)cn1
InChIInChI=1S/C14H19N3O/c1-4-17-10-14(9-16-17)18-13-7-5-12(6-8-13)11(2)15-3/h5-11,15H,4H2,1-3H3
InChIKeyUFSICYBCPMRKME-UHFFFAOYSA-N
XLogP2.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine
CID 116801689
(1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol
CID 114066991
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801740
N-methyl-1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine
CID 116801748
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 62125799
N-[[4-(1-ethylpyrazol-4-yl)oxy-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 116802120
1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801948
2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine
CID 105351313
N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802269

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine (CID 116801665) is 1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine is CCn1cc(Oc2ccc(C(C)NC)cc2)cn1.
What is the InChIKey of 1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine?
The InChIKey is UFSICYBCPMRKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-17-10-14(9-16-17)18-13-7-5-12(6-8-13)11(2)15-3/h5-11,15H,4H2,1-3H3.
What are the key properties of 1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine?
1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine is sourced from PubChem (CID 116801665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).