3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide

C25H27N3O3 — CID 166194099

IUPAC3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1OCC1CCCCO1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C25H27N3O3/c29-25(23-16-22(18-13-14-18)27-28(23)19-8-2-1-3-9-19)26-21-11-4-5-12-24(21)31-17-20-10-6-7-15-30-20/h1-5,8-9,11-12,16,18,20H,6-7,10,13-15,17H2,(H,26,29)
InChIKeyCUPLLFARPWPVOR-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.95
Rot. Bonds7

About 3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 166194099) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide
PubChem CID166194099
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1OCC1CCCCO1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C25H27N3O3/c29-25(23-16-22(18-13-14-18)27-28(23)19-8-2-1-3-9-19)26-21-11-4-5-12-24(21)31-17-20-10-6-7-15-30-20/h1-5,8-9,11-12,16,18,20H,6-7,10,13-15,17H2,(H,26,29)
InChIKeyCUPLLFARPWPVOR-UHFFFAOYSA-N
XLogP4.95
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide
CID 131895389
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
CID 86835564
3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide
CID 46439782
2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 51584307
N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 94647683
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide
CID 71709246
N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
CID 167985248

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide (CID 166194099) is 3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide is O=C(Nc1ccccc1OCC1CCCCO1)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is CUPLLFARPWPVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-25(23-16-22(18-13-14-18)27-28(23)19-8-2-1-3-9-19)26-21-11-4-5-12-24(21)31-17-20-10-6-7-15-30-20/h1-5,8-9,11-12,16,18,20H,6-7,10,13-15,17H2,(H,26,29).
What are the key properties of 3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 166194099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).