3-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]benzamide

C20H23N5O3 — CID 122559821

IUPAC3-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCCCc1cc(CNC(=O)c2cccc(-c3cnn(C(C)C(N)=O)c3)c2)on1
InChIInChI=1S/C20H23N5O3/c1-3-5-17-9-18(28-24-17)11-22-20(27)15-7-4-6-14(8-15)16-10-23-25(12-16)13(2)19(21)26/h4,6-10,12-13H,3,5,11H2,1-2H3,(H2,21,26)(H,22,27)
InChIKeyPTINIOMTLPRQFT-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.47
Rot. Bonds8

About 3-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]benzamide

3-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 122559821) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID122559821
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name3-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCCCc1cc(CNC(=O)c2cccc(-c3cnn(C(C)C(N)=O)c3)c2)on1
InChIInChI=1S/C20H23N5O3/c1-3-5-17-9-18(28-24-17)11-22-20(27)15-7-4-6-14(8-15)16-10-23-25(12-16)13(2)19(21)26/h4,6-10,12-13H,3,5,11H2,1-2H3,(H2,21,26)(H,22,27)
InChIKeyPTINIOMTLPRQFT-UHFFFAOYSA-N
XLogP2.47
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 3-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]benzamide (CID 122559821) is 3-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]benzamide is CCCc1cc(CNC(=O)c2cccc(-c3cnn(C(C)C(N)=O)c3)c2)on1.
What is the InChIKey of 3-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is PTINIOMTLPRQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-3-5-17-9-18(28-24-17)11-22-20(27)15-7-4-6-14(8-15)16-10-23-25(12-16)13(2)19(21)26/h4,6-10,12-13H,3,5,11H2,1-2H3,(H2,21,26)(H,22,27).
What are the key properties of 3-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]benzamide?
3-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 381.44 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 122559821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).