N-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide

C24H25N5O4 — CID 110239763

IUPACN-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide
SMILESCOc1ccc(-n2ncc(C(=O)C3CCN(C(=O)c4ccc(NC(C)=O)cc4)C3)c2N)cc1
InChIInChI=1S/C24H25N5O4/c1-15(30)27-18-5-3-16(4-6-18)24(32)28-12-11-17(14-28)22(31)21-13-26-29(23(21)25)19-7-9-20(33-2)10-8-19/h3-10,13,17H,11-12,14,25H2,1-2H3,(H,27,30)
InChIKeyVUYFNVIYFCUADD-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.77
Rot. Bonds6

About N-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide

N-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide (PubChem CID 110239763) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide
PubChem CID110239763
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC NameN-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide
SMILESCOc1ccc(-n2ncc(C(=O)C3CCN(C(=O)c4ccc(NC(C)=O)cc4)C3)c2N)cc1
InChIInChI=1S/C24H25N5O4/c1-15(30)27-18-5-3-16(4-6-18)24(32)28-12-11-17(14-28)22(31)21-13-26-29(23(21)25)19-7-9-20(33-2)10-8-19/h3-10,13,17H,11-12,14,25H2,1-2H3,(H,27,30)
InChIKeyVUYFNVIYFCUADD-UHFFFAOYSA-N
XLogP2.77
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 92548944
N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide
CID 92558546
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone
CID 110239771
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methanone
CID 110239760
(5-amino-1-phenylpyrazol-4-yl)-(1-benzoylpyrrolidin-3-yl)methanone
CID 110239730
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
methyl 5-amino-1-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363469
1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one
CID 92597097
1-[(3S)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-(1,2-oxazol-5-yl)propan-1-one
CID 92597106
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[(3S)-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]methanone
CID 92589335
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
N-[4-[[1-(4-methoxybenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563478

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide (CID 110239763) is N-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide is COc1ccc(-n2ncc(C(=O)C3CCN(C(=O)c4ccc(NC(C)=O)cc4)C3)c2N)cc1.
What is the InChIKey of N-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide?
The InChIKey is VUYFNVIYFCUADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-15(30)27-18-5-3-16(4-6-18)24(32)28-12-11-17(14-28)22(31)21-13-26-29(23(21)25)19-7-9-20(33-2)10-8-19/h3-10,13,17H,11-12,14,25H2,1-2H3,(H,27,30).
What are the key properties of N-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide?
N-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide has a molecular weight of 447.50 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 110239763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).