4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide

C14H18N4O2 — CID 66013536

IUPAC4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide
SMILESCC(C)c1nn(C)c(Oc2ccc(C(N)=O)cc2)c1N
InChIInChI=1S/C14H18N4O2/c1-8(2)12-11(15)14(18(3)17-12)20-10-6-4-9(5-7-10)13(16)19/h4-8H,15H2,1-3H3,(H2,16,19)
InChIKeyDKTKEDUVHFEOEN-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.02
Rot. Bonds4

About 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide

4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide (PubChem CID 66013536) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide.

Molecular Properties

Compound Name4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide
PubChem CID66013536
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide
SMILESCC(C)c1nn(C)c(Oc2ccc(C(N)=O)cc2)c1N
InChIInChI=1S/C14H18N4O2/c1-8(2)12-11(15)14(18(3)17-12)20-10-6-4-9(5-7-10)13(16)19/h4-8H,15H2,1-3H3,(H2,16,19)
InChIKeyDKTKEDUVHFEOEN-UHFFFAOYSA-N
XLogP2.02
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide?
The IUPAC name of 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide (CID 66013536) is 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide.
What is the SMILES notation for 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide?
The canonical SMILES for 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide is CC(C)c1nn(C)c(Oc2ccc(C(N)=O)cc2)c1N.
What is the InChIKey of 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide?
The InChIKey is DKTKEDUVHFEOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8(2)12-11(15)14(18(3)17-12)20-10-6-4-9(5-7-10)13(16)19/h4-8H,15H2,1-3H3,(H2,16,19).
What are the key properties of 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide?
4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide has a molecular weight of 274.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide is sourced from PubChem (CID 66013536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).