1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

C14H18ClN3O — CID 77090733

IUPAC1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCOc1ccc(CN(C)Cc2cn[nH]c2C)cc1Cl
InChIInChI=1S/C14H18ClN3O/c1-10-12(7-16-17-10)9-18(2)8-11-4-5-14(19-3)13(15)6-11/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyXAEUOWOFGMOXEY-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.01
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 77090733) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID77090733
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCOc1ccc(CN(C)Cc2cn[nH]c2C)cc1Cl
InChIInChI=1S/C14H18ClN3O/c1-10-12(7-16-17-10)9-18(2)8-11-4-5-14(19-3)13(15)6-11/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyXAEUOWOFGMOXEY-UHFFFAOYSA-N
XLogP3.01
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 117666088
N'-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 117671021
N'-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 117673395
N'-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine
CID 122180641
1-(2-chlorophenyl)-N-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16190269
N-[(4-methoxyphenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 71914760
2-(4-chlorophenyl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 28391685
1-(4-chlorophenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 45187755
(3-chloro-5-fluoro-4-methoxybenzyl)[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]methylamine
CID 50955401
[3-Chloro-4-(trifluoromethoxy)phenyl]methyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 66662525
4-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 70301455
N'-[[5-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 117615929

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (CID 77090733) is 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is COc1ccc(CN(C)Cc2cn[nH]c2C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is XAEUOWOFGMOXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10-12(7-16-17-10)9-18(2)8-11-4-5-14(19-3)13(15)6-11/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 279.77 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 77090733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).