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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Related Compounds

3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 158698645
3-[(4-hydroxyphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 159482041
5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 159243762
2-(3-fluoro-4-morpholin-4-ylphenyl)ethanamine
CID 63784903
3-[2-(4-hydroxyphenyl)ethyl]-5-(1H-indazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 153235048
O-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]hydroxylamine
CID 117353426
2-chloro-N-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]acetamide
CID 146106565
2-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1,1,3,3-tetramethylguanidine
CID 111068321
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 87025846
benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate
CID 145192081
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 75420777

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).