N-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide

C25H30N4O4 — CID 650280

IUPACN-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1cccc(OC)c1)N(C(=O)c1ccn[nH]1)c1cccc(OC)c1
InChIInChI=1S/C25H30N4O4/c1-6-25(2,3)27-23(30)22(17-9-7-11-19(15-17)32-4)29(24(31)21-13-14-26-28-21)18-10-8-12-20(16-18)33-5/h7-16,22H,6H2,1-5H3,(H,26,28)(H,27,30)
InChIKeyHHVCOJGENFOJEF-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.12
Rot. Bonds9

About N-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide

N-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide (PubChem CID 650280) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide
PubChem CID650280
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1cccc(OC)c1)N(C(=O)c1ccn[nH]1)c1cccc(OC)c1
InChIInChI=1S/C25H30N4O4/c1-6-25(2,3)27-23(30)22(17-9-7-11-19(15-17)32-4)29(24(31)21-13-14-26-28-21)18-10-8-12-20(16-18)33-5/h7-16,22H,6H2,1-5H3,(H,26,28)(H,27,30)
InChIKeyHHVCOJGENFOJEF-UHFFFAOYSA-N
XLogP4.12
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide (CID 650280) is N-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide is CCC(C)(C)NC(=O)C(c1cccc(OC)c1)N(C(=O)c1ccn[nH]1)c1cccc(OC)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is HHVCOJGENFOJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-6-25(2,3)27-23(30)22(17-9-7-11-19(15-17)32-4)29(24(31)21-13-14-26-28-21)18-10-8-12-20(16-18)33-5/h7-16,22H,6H2,1-5H3,(H,26,28)(H,27,30).
What are the key properties of N-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide?
N-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 650280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).