N-(1,3-diphenylpyrazol-5-yl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]acetamide

C28H29N5O3 — CID 1062209

IUPACN-(1,3-diphenylpyrazol-5-yl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C28H29N5O3/c1-3-18-32(28(35)29-22-14-16-24(36-2)17-15-22)20-27(34)30-26-19-25(21-10-6-4-7-11-21)31-33(26)23-12-8-5-9-13-23/h4-17,19H,3,18,20H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyNHHSBMYOUVOUJF-UHFFFAOYSA-N
MW483.57 g/mol
LogP5.43
Rot. Bonds9

About N-(1,3-diphenylpyrazol-5-yl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]acetamide

N-(1,3-diphenylpyrazol-5-yl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]acetamide (PubChem CID 1062209) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]acetamide
PubChem CID1062209
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C28H29N5O3/c1-3-18-32(28(35)29-22-14-16-24(36-2)17-15-22)20-27(34)30-26-19-25(21-10-6-4-7-11-21)31-33(26)23-12-8-5-9-13-23/h4-17,19H,3,18,20H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyNHHSBMYOUVOUJF-UHFFFAOYSA-N
XLogP5.43
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]acetamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]acetamide (CID 1062209) is N-(1,3-diphenylpyrazol-5-yl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]acetamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]acetamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]acetamide is CCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]acetamide?
The InChIKey is NHHSBMYOUVOUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-3-18-32(28(35)29-22-14-16-24(36-2)17-15-22)20-27(34)30-26-19-25(21-10-6-4-7-11-21)31-33(26)23-12-8-5-9-13-23/h4-17,19H,3,18,20H2,1-2H3,(H,29,35)(H,30,34).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]acetamide?
N-(1,3-diphenylpyrazol-5-yl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]acetamide has a molecular weight of 483.57 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]acetamide is sourced from PubChem (CID 1062209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).