N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide

C24H26F2N4O2 — CID 10026252

IUPACN-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
SMILESCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)[nH]n1
InChIInChI=1S/C24H26F2N4O2/c1-14(27-22(31)11-15-9-18(25)12-19(26)10-15)23(32)28-21-13-20(29-30-21)16-5-7-17(8-6-16)24(2,3)4/h5-10,12-14H,11H2,1-4H3,(H,27,31)(H2,28,29,30,32)
InChIKeyMTCBZUMARWHQKA-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.34
Rot. Bonds6

About N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide

N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide (PubChem CID 10026252) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
PubChem CID10026252
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC NameN-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
SMILESCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)[nH]n1
InChIInChI=1S/C24H26F2N4O2/c1-14(27-22(31)11-15-9-18(25)12-19(26)10-15)23(32)28-21-13-20(29-30-21)16-5-7-17(8-6-16)24(2,3)4/h5-10,12-14H,11H2,1-4H3,(H,27,31)(H2,28,29,30,32)
InChIKeyMTCBZUMARWHQKA-UHFFFAOYSA-N
XLogP4.34
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide?
The IUPAC name of N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide (CID 10026252) is N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide.
What is the SMILES notation for N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide?
The canonical SMILES for N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide is CC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)[nH]n1.
What is the InChIKey of N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide?
The InChIKey is MTCBZUMARWHQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c1-14(27-22(31)11-15-9-18(25)12-19(26)10-15)23(32)28-21-13-20(29-30-21)16-5-7-17(8-6-16)24(2,3)4/h5-10,12-14H,11H2,1-4H3,(H,27,31)(H2,28,29,30,32).
What are the key properties of N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide?
N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide has a molecular weight of 440.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide is sourced from PubChem (CID 10026252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).