[1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine

C23H28N4O — CID 120773905

IUPAC[1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(C)(CN)C2)cc1
InChIInChI=1S/C23H28N4O/c1-23(16-24)12-13-26(17-23)14-19-15-27(20-6-4-3-5-7-20)25-22(19)18-8-10-21(28-2)11-9-18/h3-11,15H,12-14,16-17,24H2,1-2H3
InChIKeyHAMARZDLGQOWRJ-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.72
Rot. Bonds6

About [1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine

[1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120773905) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is [1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120773905
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name[1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(C)(CN)C2)cc1
InChIInChI=1S/C23H28N4O/c1-23(16-24)12-13-26(17-23)14-19-15-27(20-6-4-3-5-7-20)25-22(19)18-8-10-21(28-2)11-9-18/h3-11,15H,12-14,16-17,24H2,1-2H3
InChIKeyHAMARZDLGQOWRJ-UHFFFAOYSA-N
XLogP3.72
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773894
2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 46809748
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide
CID 78818674
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967312
[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 114082076
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120967311
[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780442
1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-5-nitropyridin-2-one
CID 38896129
3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine
CID 120782167
[1-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780544

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine (CID 120773905) is [1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine is COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(C)(CN)C2)cc1.
What is the InChIKey of [1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is HAMARZDLGQOWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-23(16-24)12-13-26(17-23)14-19-15-27(20-6-4-3-5-7-20)25-22(19)18-8-10-21(28-2)11-9-18/h3-11,15H,12-14,16-17,24H2,1-2H3.
What are the key properties of [1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 376.50 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120773905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).