4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide

C18H19N5O2 — CID 71789781

IUPAC4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cnc(-n3cccn3)nc2)cc1
InChIInChI=1S/C18H19N5O2/c1-2-3-11-25-16-7-5-14(6-8-16)17(24)22-15-12-19-18(20-13-15)23-10-4-9-21-23/h4-10,12-13H,2-3,11H2,1H3,(H,22,24)
InChIKeyUVGPKGZJPUKREQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.09
Rot. Bonds7

About 4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide

4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide (PubChem CID 71789781) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
PubChem CID71789781
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cnc(-n3cccn3)nc2)cc1
InChIInChI=1S/C18H19N5O2/c1-2-3-11-25-16-7-5-14(6-8-16)17(24)22-15-12-19-18(20-13-15)23-10-4-9-21-23/h4-10,12-13H,2-3,11H2,1H3,(H,22,24)
InChIKeyUVGPKGZJPUKREQ-UHFFFAOYSA-N
XLogP3.09
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789784
4-butoxy-N-pyrazolo[1,5-a]pyridin-5-ylbenzamide
CID 86266822
N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide
CID 111116155
3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 122300235
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-butoxy-N-(6-chloro-3-pyridinyl)benzamide
CID 54787952
4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478576
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide
CID 33252679

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide (CID 71789781) is 4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide is CCCCOc1ccc(C(=O)Nc2cnc(-n3cccn3)nc2)cc1.
What is the InChIKey of 4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is UVGPKGZJPUKREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-3-11-25-16-7-5-14(6-8-16)17(24)22-15-12-19-18(20-13-15)23-10-4-9-21-23/h4-10,12-13H,2-3,11H2,1H3,(H,22,24).
What are the key properties of 4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide?
4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 337.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 71789781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).