4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide

C22H22N4O3 — CID 1372063

IUPAC4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
SMILESCc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C22H22N4O3/c1-16-7-9-17(10-8-16)21(27)24-20-19(22(28)25-11-13-29-14-12-25)15-23-26(20)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,24,27)
InChIKeyZYZIPIXAVILZQH-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.91
Rot. Bonds4

About 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide

4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide (PubChem CID 1372063) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
PubChem CID1372063
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
SMILESCc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C22H22N4O3/c1-16-7-9-17(10-8-16)21(27)24-20-19(22(28)25-11-13-29-14-12-25)15-23-26(20)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,24,27)
InChIKeyZYZIPIXAVILZQH-UHFFFAOYSA-N
XLogP2.91
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The IUPAC name of 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide (CID 1372063) is 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide is Cc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)cnn2-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
The InChIKey is ZYZIPIXAVILZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-16-7-9-17(10-8-16)21(27)24-20-19(22(28)25-11-13-29-14-12-25)15-23-26(20)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,24,27).
What are the key properties of 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide?
4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide has a molecular weight of 390.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 1372063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).