[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone

C22H24N6O3 — CID 110239771

IUPAC[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone
SMILESCOc1ccc(-n2ncc(C(=O)C3CCN(C(=O)c4cnc(C)nc4C)C3)c2N)cc1
InChIInChI=1S/C22H24N6O3/c1-13-18(10-24-14(2)26-13)22(30)27-9-8-15(12-27)20(29)19-11-25-28(21(19)23)16-4-6-17(31-3)7-5-16/h4-7,10-11,15H,8-9,12,23H2,1-3H3
InChIKeyFWZCGXHCYQIQIO-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.21
Rot. Bonds5

About [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone

[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone (PubChem CID 110239771) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone
PubChem CID110239771
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone
SMILESCOc1ccc(-n2ncc(C(=O)C3CCN(C(=O)c4cnc(C)nc4C)C3)c2N)cc1
InChIInChI=1S/C22H24N6O3/c1-13-18(10-24-14(2)26-13)22(30)27-9-8-15(12-27)20(29)19-11-25-28(21(19)23)16-4-6-17(31-3)7-5-16/h4-7,10-11,15H,8-9,12,23H2,1-3H3
InChIKeyFWZCGXHCYQIQIO-UHFFFAOYSA-N
XLogP2.21
TPSA116.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methanone
CID 110239760
1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 92548944
N-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 110239763
1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 92605607
(5-amino-1-phenylpyrazol-4-yl)-(1-benzoylpyrrolidin-3-yl)methanone
CID 110239730
(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone
CID 92594883
(5-amino-1-phenylpyrazol-4-yl)-[(2S)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone
CID 92594885
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 92595156
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[(3S)-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]methanone
CID 92589335
1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one
CID 92597097
[4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 70773461
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone
CID 110239869

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone?
The IUPAC name of [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone (CID 110239771) is [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone is COc1ccc(-n2ncc(C(=O)C3CCN(C(=O)c4cnc(C)nc4C)C3)c2N)cc1.
What is the InChIKey of [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone?
The InChIKey is FWZCGXHCYQIQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-13-18(10-24-14(2)26-13)22(30)27-9-8-15(12-27)20(29)19-11-25-28(21(19)23)16-4-6-17(31-3)7-5-16/h4-7,10-11,15H,8-9,12,23H2,1-3H3.
What are the key properties of [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone?
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone has a molecular weight of 420.47 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 110239771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).