2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide

C15H15N3O2 — CID 67174112

IUPAC2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide
SMILESCC(Oc1ccccc1)(C(N)=O)c1cc2cccn2[nH]1
InChIInChI=1S/C15H15N3O2/c1-15(14(16)19,20-12-7-3-2-4-8-12)13-10-11-6-5-9-18(11)17-13/h2-10,17H,1H3,(H2,16,19)
InChIKeyGQQUPKKZFGTEIL-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.05
Rot. Bonds4

About 2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide

2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide (PubChem CID 67174112) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide.

Molecular Properties

Compound Name2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide
PubChem CID67174112
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide
SMILESCC(Oc1ccccc1)(C(N)=O)c1cc2cccn2[nH]1
InChIInChI=1S/C15H15N3O2/c1-15(14(16)19,20-12-7-3-2-4-8-12)13-10-11-6-5-9-18(11)17-13/h2-10,17H,1H3,(H2,16,19)
InChIKeyGQQUPKKZFGTEIL-UHFFFAOYSA-N
XLogP2.05
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-phenoxyheptan-2-yl carbamate
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2,2-dibromo-2-phenoxyacetic acid
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methyl 2-hydroxy-2-phenoxypropanoate
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(2S)-2-(4-benzylphenoxy)-2-methylpentanamide
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1-[1-(2-phenoxyethyl)pyrrol-2-yl]ethanone
CID 79107007

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide?
The IUPAC name of 2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide (CID 67174112) is 2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide.
What is the SMILES notation for 2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide?
The canonical SMILES for 2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide is CC(Oc1ccccc1)(C(N)=O)c1cc2cccn2[nH]1.
What is the InChIKey of 2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide?
The InChIKey is GQQUPKKZFGTEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-15(14(16)19,20-12-7-3-2-4-8-12)13-10-11-6-5-9-18(11)17-13/h2-10,17H,1H3,(H2,16,19).
What are the key properties of 2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide?
2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide has a molecular weight of 269.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-2-(1H-pyrrolo[1,2-b]pyrazol-2-yl)propanamide is sourced from PubChem (CID 67174112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).