1-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide

C25H30N4O3 — CID 155570013

IUPAC1-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)NCC(C)(C)N3CCOCC3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H30N4O3/c1-25(2,28-13-15-32-16-14-28)18-26-24(30)22-17-29(20-9-11-21(31-3)12-10-20)27-23(22)19-7-5-4-6-8-19/h4-12,17H,13-16,18H2,1-3H3,(H,26,30)
InChIKeyBJPPOTJAQZGVIA-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.39
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide

1-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide (PubChem CID 155570013) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide
PubChem CID155570013
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)NCC(C)(C)N3CCOCC3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H30N4O3/c1-25(2,28-13-15-32-16-14-28)18-26-24(30)22-17-29(20-9-11-21(31-3)12-10-20)27-23(22)19-7-5-4-6-8-19/h4-12,17H,13-16,18H2,1-3H3,(H,26,30)
InChIKeyBJPPOTJAQZGVIA-UHFFFAOYSA-N
XLogP3.39
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide (CID 155570013) is 1-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide is COc1ccc(-n2cc(C(=O)NCC(C)(C)N3CCOCC3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide?
The InChIKey is BJPPOTJAQZGVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-25(2,28-13-15-32-16-14-28)18-26-24(30)22-17-29(20-9-11-21(31-3)12-10-20)27-23(22)19-7-5-4-6-8-19/h4-12,17H,13-16,18H2,1-3H3,(H,26,30).
What are the key properties of 1-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide?
1-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 155570013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).