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

C23H26N4O3 — CID 162666303

IUPAC1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)NCCN3CCOCC3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O3/c1-29-20-9-7-19(8-10-20)27-17-21(22(25-27)18-5-3-2-4-6-18)23(28)24-11-12-26-13-15-30-16-14-26/h2-10,17H,11-16H2,1H3,(H,24,28)
InChIKeyQNELNHFYYBBNFR-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.61
Rot. Bonds7

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

1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide (PubChem CID 162666303) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide
PubChem CID162666303
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)NCCN3CCOCC3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N4O3/c1-29-20-9-7-19(8-10-20)27-17-21(22(25-27)18-5-3-2-4-6-18)23(28)24-11-12-26-13-15-30-16-14-26/h2-10,17H,11-16H2,1H3,(H,24,28)
InChIKeyQNELNHFYYBBNFR-UHFFFAOYSA-N
XLogP2.61
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.61
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-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide (CID 162666303) is 1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide is COc1ccc(-n2cc(C(=O)NCCN3CCOCC3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide?
The InChIKey is QNELNHFYYBBNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-20-9-7-19(8-10-20)27-17-21(22(25-27)18-5-3-2-4-6-18)23(28)24-11-12-26-13-15-30-16-14-26/h2-10,17H,11-16H2,1H3,(H,24,28).
What are the key properties of 1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide?
1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.61, 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-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 162666303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).