N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C23H25N5O3 — CID 131915151

IUPACN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)C3CC(=O)N(Cc4cccnc4)C3)cn2)c1
InChIInChI=1S/C23H25N5O3/c1-26(13-18-12-25-28(15-18)20-6-3-7-21(10-20)31-2)23(30)19-9-22(29)27(16-19)14-17-5-4-8-24-11-17/h3-8,10-12,15,19H,9,13-14,16H2,1-2H3
InChIKeyNNZLPPVERZZUHH-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.28
Rot. Bonds7

About N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 131915151) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID131915151
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)C3CC(=O)N(Cc4cccnc4)C3)cn2)c1
InChIInChI=1S/C23H25N5O3/c1-26(13-18-12-25-28(15-18)20-6-3-7-21(10-20)31-2)23(30)19-9-22(29)27(16-19)14-17-5-4-8-24-11-17/h3-8,10-12,15,19H,9,13-14,16H2,1-2H3
InChIKeyNNZLPPVERZZUHH-UHFFFAOYSA-N
XLogP2.28
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 131915151) is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is COc1cccc(-n2cc(CN(C)C(=O)C3CC(=O)N(Cc4cccnc4)C3)cn2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is NNZLPPVERZZUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-26(13-18-12-25-28(15-18)20-6-3-7-21(10-20)31-2)23(30)19-9-22(29)27(16-19)14-17-5-4-8-24-11-17/h3-8,10-12,15,19H,9,13-14,16H2,1-2H3.
What are the key properties of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 131915151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).