[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone

C22H24N4O2 — CID 156607219

IUPAC[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESCOc1ccc(C2CN(C(=O)c3cccc(Cn4cccn4)c3)CC2N)cc1
InChIInChI=1S/C22H24N4O2/c1-28-19-8-6-17(7-9-19)20-14-25(15-21(20)23)22(27)18-5-2-4-16(12-18)13-26-11-3-10-24-26/h2-12,20-21H,13-15,23H2,1H3
InChIKeyYLUFABFIUGKTDW-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.51
Rot. Bonds5

About [3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone

[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone (PubChem CID 156607219) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
PubChem CID156607219
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESCOc1ccc(C2CN(C(=O)c3cccc(Cn4cccn4)c3)CC2N)cc1
InChIInChI=1S/C22H24N4O2/c1-28-19-8-6-17(7-9-19)20-14-25(15-21(20)23)22(27)18-5-2-4-16(12-18)13-26-11-3-10-24-26/h2-12,20-21H,13-15,23H2,1H3
InChIKeyYLUFABFIUGKTDW-UHFFFAOYSA-N
XLogP2.51
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 35762825
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 35763249
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 35763250
[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(azepan-1-ylmethyl)phenyl]methanone
CID 72855149
[3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 156604303
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 120746621
[(3S,4R)-3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
CID 133111430
[(3R,4S)-3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 72902697
N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide
CID 3667212
N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724961
[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-prop-2-enoxyphenyl)methanone
CID 72940098
methyl (2S,4R)-4-hydroxy-1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidine-2-carboxylate
CID 133127407

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone (CID 156607219) is [3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone is COc1ccc(C2CN(C(=O)c3cccc(Cn4cccn4)c3)CC2N)cc1.
What is the InChIKey of [3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is YLUFABFIUGKTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-19-8-6-17(7-9-19)20-14-25(15-21(20)23)22(27)18-5-2-4-16(12-18)13-26-11-3-10-24-26/h2-12,20-21H,13-15,23H2,1H3.
What are the key properties of [3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 376.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 156607219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).