N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide

C24H28N4O3 — CID 55754690

IUPACN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(C)n(-c3ccccc3)n2)N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O3/c1-18-16-22(26-28(18)20-6-4-3-5-7-20)24(29)25-17-23(27-12-14-31-15-13-27)19-8-10-21(30-2)11-9-19/h3-11,16,23H,12-15,17H2,1-2H3,(H,25,29)
InChIKeyNQUYBFZWOCOVNR-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.99
Rot. Bonds7

About N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 55754690) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID55754690
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(C)n(-c3ccccc3)n2)N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O3/c1-18-16-22(26-28(18)20-6-4-3-5-7-20)24(29)25-17-23(27-12-14-31-15-13-27)19-8-10-21(30-2)11-9-19/h3-11,16,23H,12-15,17H2,1-2H3,(H,25,29)
InChIKeyNQUYBFZWOCOVNR-UHFFFAOYSA-N
XLogP2.99
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 119039670
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 31429586
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 31429584
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 31429944
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 25495794
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1H-indole-3-carboxamide
CID 31909519
5-cyclopropyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 32911137
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 2998590
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide (CID 55754690) is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide is COc1ccc(C(CNC(=O)c2cc(C)n(-c3ccccc3)n2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is NQUYBFZWOCOVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-18-16-22(26-28(18)20-6-4-3-5-7-20)24(29)25-17-23(27-12-14-31-15-13-27)19-8-10-21(30-2)11-9-19/h3-11,16,23H,12-15,17H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55754690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).