1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine

C13H16ClN3O — CID 116802117

IUPAC1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
SMILESCCn1cc(Oc2ccc(CNC)cc2Cl)cn1
InChIInChI=1S/C13H16ClN3O/c1-3-17-9-11(8-16-17)18-13-5-4-10(7-15-2)6-12(13)14/h4-6,8-9,15H,3,7H2,1-2H3
InChIKeyMCWWPQXIXPPGGD-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.07
Rot. Bonds5

About 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine

1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine (PubChem CID 116802117) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
PubChem CID116802117
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
SMILESCCn1cc(Oc2ccc(CNC)cc2Cl)cn1
InChIInChI=1S/C13H16ClN3O/c1-3-17-9-11(8-16-17)18-13-5-4-10(7-15-2)6-12(13)14/h4-6,8-9,15H,3,7H2,1-2H3
InChIKeyMCWWPQXIXPPGGD-UHFFFAOYSA-N
XLogP3.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 116802102
N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802209
[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol
CID 116801961
1-[5-bromo-2-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114061875
1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801948
1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine
CID 114929109
1-[5-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114857852
1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114857848
(E)-3-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]prop-2-enoic acid
CID 116802431
1-[3-chloro-4-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine
CID 81155007
4-[2-chloro-4-(chloromethyl)phenoxy]-1-methylpyrazole
CID 116793035
5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800247

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine (CID 116802117) is 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine is CCn1cc(Oc2ccc(CNC)cc2Cl)cn1.
What is the InChIKey of 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine?
The InChIKey is MCWWPQXIXPPGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-3-17-9-11(8-16-17)18-13-5-4-10(7-15-2)6-12(13)14/h4-6,8-9,15H,3,7H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine?
1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine has a molecular weight of 265.74 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 116802117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).