1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine

C15H20ClN3O — CID 115885796

IUPAC1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
SMILESCCc1nn(C)cc1CNCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-4-14-12(10-19(2)18-14)9-17-8-11-5-6-15(20-3)13(16)7-11/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyIOUBEIKBVOAJIJ-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.93
Rot. Bonds6

About 1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine

1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 115885796) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID115885796
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
SMILESCCc1nn(C)cc1CNCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-4-14-12(10-19(2)18-14)9-17-8-11-5-6-15(20-3)13(16)7-11/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyIOUBEIKBVOAJIJ-UHFFFAOYSA-N
XLogP2.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

5-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol
CID 115885619
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-iodophenyl)methanamine
CID 112668872
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 112549095
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 112549217
3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112549452
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrol-3-yl)methanamine
CID 112668399
2-chloro-6-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112555032
1-(3-chloro-4-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 65021379
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 79032760
[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 111466497
1-(3-chloro-4-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 65021941

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine (CID 115885796) is 1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine is CCc1nn(C)cc1CNCc1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is IOUBEIKBVOAJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-4-14-12(10-19(2)18-14)9-17-8-11-5-6-15(20-3)13(16)7-11/h5-7,10,17H,4,8-9H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine?
1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 293.80 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 115885796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).