N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide

C17H20ClN3O2 — CID 146085233

IUPACN-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NC1(c2ccc(Cl)cc2)CCOCC1)n1cccn1
InChIInChI=1S/C17H20ClN3O2/c1-13(21-10-2-9-19-21)16(22)20-17(7-11-23-12-8-17)14-3-5-15(18)6-4-14/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,20,22)
InChIKeyZLTDREUEYGGVPF-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.92
Rot. Bonds4

About N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide

N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide (PubChem CID 146085233) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide
PubChem CID146085233
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NC1(c2ccc(Cl)cc2)CCOCC1)n1cccn1
InChIInChI=1S/C17H20ClN3O2/c1-13(21-10-2-9-19-21)16(22)20-17(7-11-23-12-8-17)14-3-5-15(18)6-4-14/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,20,22)
InChIKeyZLTDREUEYGGVPF-UHFFFAOYSA-N
XLogP2.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)cyclopropyl]-2-morpholin-4-ylpropanamide
CID 110446378
(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide
CID 129434086
1-(2-pyrazol-1-ylpropanoylamino)cyclopropane-1-carboxylic acid
CID 65453195
N-[2-(4-chlorophenyl)sulfanylethyl]-2-pyrazol-1-ylpropanamide
CID 134048678
1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea
CID 56822946
N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide
CID 138992450
(3R,4S)-N-[4-(4-chlorophenyl)oxan-4-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120929710
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281
(2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-pyrazol-1-ylpropanamide
CID 94037913
(2R)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-pyrazol-1-ylpropanamide
CID 95134476
2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide
CID 131934351
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide (CID 146085233) is N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide is CC(C(=O)NC1(c2ccc(Cl)cc2)CCOCC1)n1cccn1.
What is the InChIKey of N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide?
The InChIKey is ZLTDREUEYGGVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-13(21-10-2-9-19-21)16(22)20-17(7-11-23-12-8-17)14-3-5-15(18)6-4-14/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,20,22).
What are the key properties of N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide?
N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide has a molecular weight of 333.82 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 146085233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).