5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide

C24H27FN4O2 — CID 157452926

IUPAC5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CCc2n[nH]c(Cc3ccc(N4CCOCC4)c(F)c3)c2C(N)=O)cc1
InChIInChI=1S/C24H27FN4O2/c1-16-2-4-17(5-3-16)6-8-20-23(24(26)30)21(28-27-20)15-18-7-9-22(19(25)14-18)29-10-12-31-13-11-29/h2-5,7,9,14H,6,8,10-13,15H2,1H3,(H2,26,30)(H,27,28)
InChIKeyHQGQQVFHMVKCIZ-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.17
Rot. Bonds7

About 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide

5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 157452926) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID157452926
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CCc2n[nH]c(Cc3ccc(N4CCOCC4)c(F)c3)c2C(N)=O)cc1
InChIInChI=1S/C24H27FN4O2/c1-16-2-4-17(5-3-16)6-8-20-23(24(26)30)21(28-27-20)15-18-7-9-22(19(25)14-18)29-10-12-31-13-11-29/h2-5,7,9,14H,6,8,10-13,15H2,1H3,(H2,26,30)(H,27,28)
InChIKeyHQGQQVFHMVKCIZ-UHFFFAOYSA-N
XLogP3.17
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 157452926) is 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide is Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCOCC4)c(F)c3)c2C(N)=O)cc1.
What is the InChIKey of 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is HQGQQVFHMVKCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-16-2-4-17(5-3-16)6-8-20-23(24(26)30)21(28-27-20)15-18-7-9-22(19(25)14-18)29-10-12-31-13-11-29/h2-5,7,9,14H,6,8,10-13,15H2,1H3,(H2,26,30)(H,27,28).
What are the key properties of 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 157452926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).