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

C14H18ClN3O — CID 74438762

IUPACN-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2nn(C)cc2Cl)c1
InChIInChI=1S/C14H18ClN3O/c1-10(11-5-4-6-12(7-11)19-3)16-8-14-13(15)9-18(2)17-14/h4-7,9-10,16H,8H2,1-3H3
InChIKeyGFEGHMCAICCPKK-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.93
Rot. Bonds5

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

N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 74438762) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID74438762
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC NameN-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2nn(C)cc2Cl)c1
InChIInChI=1S/C14H18ClN3O/c1-10(11-5-4-6-12(7-11)19-3)16-8-14-13(15)9-18(2)17-14/h4-7,9-10,16H,8H2,1-3H3
InChIKeyGFEGHMCAICCPKK-UHFFFAOYSA-N
XLogP2.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 83088565
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948
(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376151
(1S)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376672
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354628
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 104860852
(1R)-1-(3-methoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 25264906
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 102615845
(1S)-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81372922
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103954655

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine (CID 74438762) is N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NCc2nn(C)cc2Cl)c1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is GFEGHMCAICCPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10(11-5-4-6-12(7-11)19-3)16-8-14-13(15)9-18(2)17-14/h4-7,9-10,16H,8H2,1-3H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine?
N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 74438762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).