[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone

C21H28N4O2 — CID 71040672

IUPAC[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone
SMILESCc1nn(-c2cccc(O)c2)c(C)c1C(=O)N1CCC(N2CCCC2C)C1
InChIInChI=1S/C21H28N4O2/c1-14-6-5-10-24(14)18-9-11-23(13-18)21(27)20-15(2)22-25(16(20)3)17-7-4-8-19(26)12-17/h4,7-8,12,14,18,26H,5-6,9-11,13H2,1-3H3
InChIKeyXMHNZMUHAZSQJD-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.89
Rot. Bonds3

About [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone

[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 71040672) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone
PubChem CID71040672
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone
SMILESCc1nn(-c2cccc(O)c2)c(C)c1C(=O)N1CCC(N2CCCC2C)C1
InChIInChI=1S/C21H28N4O2/c1-14-6-5-10-24(14)18-9-11-23(13-18)21(27)20-15(2)22-25(16(20)3)17-7-4-8-19(26)12-17/h4,7-8,12,14,18,26H,5-6,9-11,13H2,1-3H3
InChIKeyXMHNZMUHAZSQJD-UHFFFAOYSA-N
XLogP2.89
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 71040668
[1-[3-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-3,5-dimethylpyrazol-4-yl]-[(3R)-3-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 67314676
[1-[3-[2-(4-chlorophenyl)ethenyl]phenyl]-3,5-dimethylpyrazol-4-yl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 67314679
azepan-1-yl-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 9036569
[1-(4-bromophenyl)-3,5-dimethylpyrazol-4-yl]-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]methanone
CID 97065528
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559904
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538582
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694964
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491020
[3-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanone
CID 119595022
[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone
CID 97197985
1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine
CID 141288740

Frequently Asked Questions

What is the IUPAC name of [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone (CID 71040672) is [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone is Cc1nn(-c2cccc(O)c2)c(C)c1C(=O)N1CCC(N2CCCC2C)C1.
What is the InChIKey of [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XMHNZMUHAZSQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14-6-5-10-24(14)18-9-11-23(13-18)21(27)20-15(2)22-25(16(20)3)17-7-4-8-19(26)12-17/h4,7-8,12,14,18,26H,5-6,9-11,13H2,1-3H3.
What are the key properties of [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone?
[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 368.48 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71040672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).