[1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]methanamine

C11H12ClN3O — CID 82292082

IUPAC[1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]methanamine
SMILESCOc1ccc(Cl)cc1-n1cc(CN)cn1
InChIInChI=1S/C11H12ClN3O/c1-16-11-3-2-9(12)4-10(11)15-7-8(5-13)6-14-15/h2-4,6-7H,5,13H2,1H3
InChIKeyITPWIMLTAGNUJS-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.99
Rot. Bonds3

About [1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]methanamine

[1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]methanamine (PubChem CID 82292082) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]methanamine
PubChem CID82292082
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name[1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]methanamine
SMILESCOc1ccc(Cl)cc1-n1cc(CN)cn1
InChIInChI=1S/C11H12ClN3O/c1-16-11-3-2-9(12)4-10(11)15-7-8(5-13)6-14-15/h2-4,6-7H,5,13H2,1H3
InChIKeyITPWIMLTAGNUJS-UHFFFAOYSA-N
XLogP1.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[3-[4-(aminomethyl)pyrazol-1-yl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146315861
[1-[1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120778030
1-(5-chloro-2-methoxyphenyl)-4-(chloromethyl)-5-methylpyrazole
CID 82528095
4-methoxy-3-(4-methylpyrazol-1-yl)phenol
CID 175887944
[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 39233257
2-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8962293
3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine
CID 94277704
2-[1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
CID 39379121
1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228
1-(5-chloro-2-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-sulfonamide;hydrochloride
CID 119968792
[3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine
CID 82482117
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 87014722

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]methanamine (CID 82292082) is [1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]methanamine is COc1ccc(Cl)cc1-n1cc(CN)cn1.
What is the InChIKey of [1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]methanamine?
The InChIKey is ITPWIMLTAGNUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-16-11-3-2-9(12)4-10(11)15-7-8(5-13)6-14-15/h2-4,6-7H,5,13H2,1H3.
What are the key properties of [1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]methanamine?
[1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]methanamine has a molecular weight of 237.69 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 82292082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).