(1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

C22H24N4O — CID 119538902

IUPAC(1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)C1
InChIInChI=1S/C22H24N4O/c1-23-14-17-12-13-25(15-17)22(27)20-16-26(19-10-6-3-7-11-19)24-21(20)18-8-4-2-5-9-18/h2-11,16-17,23H,12-15H2,1H3
InChIKeyHVBUHVJXQQXHIB-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.22
Rot. Bonds5

About (1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

(1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 119538902) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID119538902
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)C1
InChIInChI=1S/C22H24N4O/c1-23-14-17-12-13-25(15-17)22(27)20-16-26(19-10-6-3-7-11-19)24-21(20)18-8-4-2-5-9-18/h2-11,16-17,23H,12-15H2,1H3
InChIKeyHVBUHVJXQQXHIB-UHFFFAOYSA-N
XLogP3.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540012
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613068
[3-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119540836
[3-(methylaminomethyl)piperidin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone;dihydrochloride
CID 119394788
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119412111
N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55781057
2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46377856
(1,5-diphenyl-1,2,4-triazol-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538948
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanone
CID 155492081
[(3R)-3-hydroxypyrrolidin-1-yl]-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methanone
CID 111561482
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone
CID 167974805
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048

Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 119538902) is (1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)C1.
What is the InChIKey of (1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is HVBUHVJXQQXHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-23-14-17-12-13-25(15-17)22(27)20-16-26(19-10-6-3-7-11-19)24-21(20)18-8-4-2-5-9-18/h2-11,16-17,23H,12-15H2,1H3.
What are the key properties of (1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
(1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119538902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).