N-[5-[3-(2-hydroxyphenyl)cyclobutyl]pyrazol-1-yl]cyclopropanecarboxamide

C17H19N3O2 — CID 91427346

IUPACN-[5-[3-(2-hydroxyphenyl)cyclobutyl]pyrazol-1-yl]cyclopropanecarboxamide
SMILESO=C(Nn1nccc1C1CC(c2ccccc2O)C1)C1CC1
InChIInChI=1S/C17H19N3O2/c21-16-4-2-1-3-14(16)12-9-13(10-12)15-7-8-18-20(15)19-17(22)11-5-6-11/h1-4,7-8,11-13,21H,5-6,9-10H2,(H,19,22)
InChIKeyNMMOCFXQERGCES-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.73
Rot. Bonds4

About N-[5-[3-(2-hydroxyphenyl)cyclobutyl]pyrazol-1-yl]cyclopropanecarboxamide

N-[5-[3-(2-hydroxyphenyl)cyclobutyl]pyrazol-1-yl]cyclopropanecarboxamide (PubChem CID 91427346) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[5-[3-(2-hydroxyphenyl)cyclobutyl]pyrazol-1-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(2-hydroxyphenyl)cyclobutyl]pyrazol-1-yl]cyclopropanecarboxamide
PubChem CID91427346
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[5-[3-(2-hydroxyphenyl)cyclobutyl]pyrazol-1-yl]cyclopropanecarboxamide
SMILESO=C(Nn1nccc1C1CC(c2ccccc2O)C1)C1CC1
InChIInChI=1S/C17H19N3O2/c21-16-4-2-1-3-14(16)12-9-13(10-12)15-7-8-18-20(15)19-17(22)11-5-6-11/h1-4,7-8,11-13,21H,5-6,9-10H2,(H,19,22)
InChIKeyNMMOCFXQERGCES-UHFFFAOYSA-N
XLogP2.73
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2-hydroxyphenyl)cyclobutyl]pyrazol-1-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-(2-hydroxyphenyl)cyclobutyl]pyrazol-1-yl]cyclopropanecarboxamide (CID 91427346) is N-[5-[3-(2-hydroxyphenyl)cyclobutyl]pyrazol-1-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-(2-hydroxyphenyl)cyclobutyl]pyrazol-1-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-(2-hydroxyphenyl)cyclobutyl]pyrazol-1-yl]cyclopropanecarboxamide is O=C(Nn1nccc1C1CC(c2ccccc2O)C1)C1CC1.
What is the InChIKey of N-[5-[3-(2-hydroxyphenyl)cyclobutyl]pyrazol-1-yl]cyclopropanecarboxamide?
The InChIKey is NMMOCFXQERGCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16-4-2-1-3-14(16)12-9-13(10-12)15-7-8-18-20(15)19-17(22)11-5-6-11/h1-4,7-8,11-13,21H,5-6,9-10H2,(H,19,22).
What are the key properties of N-[5-[3-(2-hydroxyphenyl)cyclobutyl]pyrazol-1-yl]cyclopropanecarboxamide?
N-[5-[3-(2-hydroxyphenyl)cyclobutyl]pyrazol-1-yl]cyclopropanecarboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2-hydroxyphenyl)cyclobutyl]pyrazol-1-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91427346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).