N-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide

C26H25ClN4O3 — CID 121364647

IUPACN-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C26H25ClN4O3/c1-19-24(26(33)28-12-14-34-23-6-4-5-22(27)15-23)18-31(29-19)17-21-10-8-20(9-11-21)16-30-13-3-2-7-25(30)32/h2-11,13,15,18H,12,14,16-17H2,1H3,(H,28,33)
InChIKeyPKQDYDRNWWAIES-UHFFFAOYSA-N
MW476.96 g/mol
LogP3.91
Rot. Bonds9

About N-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide

N-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 121364647) has the molecular formula C26H25ClN4O3 and a molecular weight of 476.96 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID121364647
Molecular FormulaC26H25ClN4O3
Molecular Weight476.96 g/mol
Exact Mass476.16
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C26H25ClN4O3/c1-19-24(26(33)28-12-14-34-23-6-4-5-22(27)15-23)18-31(29-19)17-21-10-8-20(9-11-21)16-30-13-3-2-7-25(30)32/h2-11,13,15,18H,12,14,16-17H2,1H3,(H,28,33)
InChIKeyPKQDYDRNWWAIES-UHFFFAOYSA-N
XLogP3.91
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide
CID 55881604
N-[2-(4-chlorofuran-2-yl)sulfanylethyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 121364679
3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 121364648
3-(methoxymethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 121365092
N-[3-(5-chloro-1,3-thiazol-2-yl)propyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 121364609
1-[[4-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]phenyl]methyl]pyridin-2-one
CID 47628361
3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
CID 121364564
N-[(5-chloro-2-cyanophenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 121365097
N-[(2S)-2-amino-2-phenylethyl]-1-[(3-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 99815533
4-[[[1-[(3-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 171854591
N-[(4-chloro-3-fluoro-2-pyridinyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 139301812
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 121364647) is N-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is Cc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is PKQDYDRNWWAIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3/c1-19-24(26(33)28-12-14-34-23-6-4-5-22(27)15-23)18-31(29-19)17-21-10-8-20(9-11-21)16-30-13-3-2-7-25(30)32/h2-11,13,15,18H,12,14,16-17H2,1H3,(H,28,33).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
N-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 476.96 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121364647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).