N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide

C26H30N4O4 — CID 42765045

IUPACN-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide
SMILESCOc1ccc(-n2nc(C)c(-c3ccccc3)c2NC(=O)CCCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H30N4O4/c1-19-25(20-7-4-3-5-8-20)26(30(28-19)21-11-13-22(33-2)14-12-21)27-23(31)9-6-10-24(32)29-15-17-34-18-16-29/h3-5,7-8,11-14H,6,9-10,15-18H2,1-2H3,(H,27,31)
InChIKeyPRNJJZPKBIEGPS-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.82
Rot. Bonds8

About N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide

N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide (PubChem CID 42765045) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide
PubChem CID42765045
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide
SMILESCOc1ccc(-n2nc(C)c(-c3ccccc3)c2NC(=O)CCCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H30N4O4/c1-19-25(20-7-4-3-5-8-20)26(30(28-19)21-11-13-22(33-2)14-12-21)27-23(31)9-6-10-24(32)29-15-17-34-18-16-29/h3-5,7-8,11-14H,6,9-10,15-18H2,1-2H3,(H,27,31)
InChIKeyPRNJJZPKBIEGPS-UHFFFAOYSA-N
XLogP3.82
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide (CID 42765045) is N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide is COc1ccc(-n2nc(C)c(-c3ccccc3)c2NC(=O)CCCC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide?
The InChIKey is PRNJJZPKBIEGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-19-25(20-7-4-3-5-8-20)26(30(28-19)21-11-13-22(33-2)14-12-21)27-23(31)9-6-10-24(32)29-15-17-34-18-16-29/h3-5,7-8,11-14H,6,9-10,15-18H2,1-2H3,(H,27,31).
What are the key properties of N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide?
N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide has a molecular weight of 462.55 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-5-morpholin-4-yl-5-oxopentanamide is sourced from PubChem (CID 42765045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).