(1-amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate

C18H16N4O3 — CID 4882528

IUPAC(1-amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
SMILESCC(OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(N)=O
InChIInChI=1S/C18H16N4O3/c1-12(17(19)23)25-18(24)15-11-22(14-7-3-2-4-8-14)21-16(15)13-6-5-9-20-10-13/h2-12H,1H3,(H2,19,23)
InChIKeyPHNRRZFPWNKWCO-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.96
Rot. Bonds5

About (1-amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate

(1-amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate (PubChem CID 4882528) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
PubChem CID4882528
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name(1-amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
SMILESCC(OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(N)=O
InChIInChI=1S/C18H16N4O3/c1-12(17(19)23)25-18(24)15-11-22(14-7-3-2-4-8-14)21-16(15)13-6-5-9-20-10-13/h2-12H,1H3,(H2,19,23)
InChIKeyPHNRRZFPWNKWCO-UHFFFAOYSA-N
XLogP1.96
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate (CID 4882528) is (1-amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate is CC(OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate?
The InChIKey is PHNRRZFPWNKWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12(17(19)23)25-18(24)15-11-22(14-7-3-2-4-8-14)21-16(15)13-6-5-9-20-10-13/h2-12H,1H3,(H2,19,23).
What are the key properties of (1-amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate?
(1-amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate is sourced from PubChem (CID 4882528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).