3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide

C19H23N3O2 — CID 71709246

IUPAC3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide
SMILESO=C(NCC1CCOCC1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C19H23N3O2/c23-19(20-13-14-8-10-24-11-9-14)18-12-17(15-6-7-15)21-22(18)16-4-2-1-3-5-16/h1-5,12,14-15H,6-11,13H2,(H,20,23)
InChIKeyPDISQGNCYGVSGW-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.91
Rot. Bonds5

About 3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide (PubChem CID 71709246) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide
PubChem CID71709246
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide
SMILESO=C(NCC1CCOCC1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C19H23N3O2/c23-19(20-13-14-8-10-24-11-9-14)18-12-17(15-6-7-15)21-22(18)16-4-2-1-3-5-16/h1-5,12,14-15H,6-11,13H2,(H,20,23)
InChIKeyPDISQGNCYGVSGW-UHFFFAOYSA-N
XLogP2.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 9398113
3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide
CID 9291418
3-cyclopropyl-1-phenyl-N-(3-phenylmethoxypropyl)pyrazole-5-carboxamide
CID 41365797
3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 9406513
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide
CID 31205411
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404997
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18161045
3-cyclopropyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-phenylpyrazole-5-carboxamide
CID 17453949

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide (CID 71709246) is 3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide is O=C(NCC1CCOCC1)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is PDISQGNCYGVSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(20-13-14-8-10-24-11-9-14)18-12-17(15-6-7-15)21-22(18)16-4-2-1-3-5-16/h1-5,12,14-15H,6-11,13H2,(H,20,23).
What are the key properties of 3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 71709246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).