[4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride

C20H24ClN3O — CID 21090936

IUPAC[4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride
SMILESCOc1ccc(-n2nc(C(C)C)cc2-c2ccc(CN)cc2)cc1.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-14(2)19-12-20(16-6-4-15(13-21)5-7-16)23(22-19)17-8-10-18(24-3)11-9-17;/h4-12,14H,13,21H2,1-3H3;1H
InChIKeyXPNJJKUAIJKABG-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.55
Rot. Bonds5

About [4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride

[4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride (PubChem CID 21090936) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is [4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride
PubChem CID21090936
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name[4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride
SMILESCOc1ccc(-n2nc(C(C)C)cc2-c2ccc(CN)cc2)cc1.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-14(2)19-12-20(16-6-4-15(13-21)5-7-16)23(22-19)17-8-10-18(24-3)11-9-17;/h4-12,14H,13,21H2,1-3H3;1H
InChIKeyXPNJJKUAIJKABG-UHFFFAOYSA-N
XLogP4.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine;hydrochloride
CID 21090957
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
[5-[4-(aminomethyl)phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 21090864
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
CID 82071889
2-[2-[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]ethyl]isoindole-1,3-dione
CID 21090702
2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine
CID 21090779
ethyl 3-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoate
CID 14871160
3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359
4-[3-[1,5-bis(methylamino)pentan-3-yl]-5-(4-methoxyphenyl)pyrazol-1-yl]phenol;formaldehyde
CID 143548371
5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine
CID 154339032
2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 83986336

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of [4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride (CID 21090936) is [4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride is COc1ccc(-n2nc(C(C)C)cc2-c2ccc(CN)cc2)cc1.Cl.
What is the InChIKey of [4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride?
The InChIKey is XPNJJKUAIJKABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.ClH/c1-14(2)19-12-20(16-6-4-15(13-21)5-7-16)23(22-19)17-8-10-18(24-3)11-9-17;/h4-12,14H,13,21H2,1-3H3;1H.
What are the key properties of [4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride?
[4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 21090936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).