[1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine

C18H18ClN3O — CID 82072567

IUPAC[1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine
SMILESCOc1ccccc1-c1cc(CN)nn1-c1cc(Cl)ccc1C
InChIInChI=1S/C18H18ClN3O/c1-12-7-8-13(19)9-16(12)22-17(10-14(11-20)21-22)15-5-3-4-6-18(15)23-2/h3-10H,11,20H2,1-2H3
InChIKeyJHHCADSUSJCYCR-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.97
Rot. Bonds4

About [1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine

[1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine (PubChem CID 82072567) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is [1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine
PubChem CID82072567
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name[1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine
SMILESCOc1ccccc1-c1cc(CN)nn1-c1cc(Cl)ccc1C
InChIInChI=1S/C18H18ClN3O/c1-12-7-8-13(19)9-16(12)22-17(10-14(11-20)21-22)15-5-3-4-6-18(15)23-2/h3-10H,11,20H2,1-2H3
InChIKeyJHHCADSUSJCYCR-UHFFFAOYSA-N
XLogP3.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82091414
[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071949
2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
CID 82072788
[1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072108
[5-chloro-2-(2-methoxyphenyl)phenyl]methanamine
CID 66160291
[2-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072549
[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072215
1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide
CID 118395954
1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82220353
3-benzylsulfanyl-1-(5-chloro-2-methylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566858
1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole
CID 67848090
[1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 94940134

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine (CID 82072567) is [1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine is COc1ccccc1-c1cc(CN)nn1-c1cc(Cl)ccc1C.
What is the InChIKey of [1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine?
The InChIKey is JHHCADSUSJCYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-12-7-8-13(19)9-16(12)22-17(10-14(11-20)21-22)15-5-3-4-6-18(15)23-2/h3-10H,11,20H2,1-2H3.
What are the key properties of [1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine?
[1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine has a molecular weight of 327.82 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 82072567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).