4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide

C23H21N5O2 — CID 122309612

IUPAC4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
SMILESO=C(CCCc1ccccc1)Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1
InChIInChI=1S/C23H21N5O2/c29-22(9-4-8-18-6-2-1-3-7-18)27-19-10-12-20(13-11-19)30-23-16-21(24-17-25-23)28-15-5-14-26-28/h1-3,5-7,10-17H,4,8-9H2,(H,27,29)
InChIKeyHJUALSIBGCWNFP-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.42
Rot. Bonds8

About 4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide

4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide (PubChem CID 122309612) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
PubChem CID122309612
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
SMILESO=C(CCCc1ccccc1)Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1
InChIInChI=1S/C23H21N5O2/c29-22(9-4-8-18-6-2-1-3-7-18)27-19-10-12-20(13-11-19)30-23-16-21(24-17-25-23)28-15-5-14-26-28/h1-3,5-7,10-17H,4,8-9H2,(H,27,29)
InChIKeyHJUALSIBGCWNFP-UHFFFAOYSA-N
XLogP4.42
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122308856
1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309674
(E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
CID 122309615
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309788
1-(2-chlorophenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309662
4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309931
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide
CID 122306542
1-(3-chloro-4-methylphenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309646
1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122309727
5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 122309753
2-chloro-6-fluoro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309602
3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309820

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide?
The IUPAC name of 4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide (CID 122309612) is 4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide?
The canonical SMILES for 4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide is O=C(CCCc1ccccc1)Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide?
The InChIKey is HJUALSIBGCWNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-22(9-4-8-18-6-2-1-3-7-18)27-19-10-12-20(13-11-19)30-23-16-21(24-17-25-23)28-15-5-14-26-28/h1-3,5-7,10-17H,4,8-9H2,(H,27,29).
What are the key properties of 4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide?
4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide has a molecular weight of 399.45 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide is sourced from PubChem (CID 122309612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).