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

C14H18N4O2 — CID 66023511

IUPAC4-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxybenzamide
SMILESCc1nn(C(C)C)c(Oc2ccc(C(N)=O)cc2)c1N
InChIInChI=1S/C14H18N4O2/c1-8(2)18-14(12(15)9(3)17-18)20-11-6-4-10(5-7-11)13(16)19/h4-8H,15H2,1-3H3,(H2,16,19)
InChIKeyYODMUPLKYJWENS-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.25
Rot. Bonds4

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

4-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxybenzamide (PubChem CID 66023511) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxybenzamide.

Molecular Properties

Compound Name4-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxybenzamide
PubChem CID66023511
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxybenzamide
SMILESCc1nn(C(C)C)c(Oc2ccc(C(N)=O)cc2)c1N
InChIInChI=1S/C14H18N4O2/c1-8(2)18-14(12(15)9(3)17-18)20-11-6-4-10(5-7-11)13(16)19/h4-8H,15H2,1-3H3,(H2,16,19)
InChIKeyYODMUPLKYJWENS-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxybenzamide?
The IUPAC name of 4-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxybenzamide (CID 66023511) is 4-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxybenzamide.
What is the SMILES notation for 4-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxybenzamide?
The canonical SMILES for 4-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxybenzamide is Cc1nn(C(C)C)c(Oc2ccc(C(N)=O)cc2)c1N.
What is the InChIKey of 4-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxybenzamide?
The InChIKey is YODMUPLKYJWENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8(2)18-14(12(15)9(3)17-18)20-11-6-4-10(5-7-11)13(16)19/h4-8H,15H2,1-3H3,(H2,16,19).
What are the key properties of 4-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxybenzamide?
4-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxybenzamide has a molecular weight of 274.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxybenzamide is sourced from PubChem (CID 66023511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).