4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide

C15H16ClN3O2 — CID 71937459

IUPAC4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide
SMILESO=C(Nc1cn[nH]c1)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C15H16ClN3O2/c16-12-3-1-11(2-4-12)15(5-7-21-8-6-15)14(20)19-13-9-17-18-10-13/h1-4,9-10H,5-8H2,(H,17,18)(H,19,20)
InChIKeyHMLFZZACHDEONQ-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.75
Rot. Bonds3

About 4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide

4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide (PubChem CID 71937459) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide
PubChem CID71937459
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide
SMILESO=C(Nc1cn[nH]c1)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C15H16ClN3O2/c16-12-3-1-11(2-4-12)15(5-7-21-8-6-15)14(20)19-13-9-17-18-10-13/h1-4,9-10H,5-8H2,(H,17,18)(H,19,20)
InChIKeyHMLFZZACHDEONQ-UHFFFAOYSA-N
XLogP2.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 60582492
4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide
CID 100781339
4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide
CID 100685329
1-(4-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)cyclopentane-1-carboxamide
CID 122301531
4-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]oxane-4-carboxamide
CID 100781359
N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122301497
4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide
CID 100685761
4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide
CID 100685928
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide
CID 100685863
4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
CID 120890135
N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 3863811

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide (CID 71937459) is 4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide is O=C(Nc1cn[nH]c1)C1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide?
The InChIKey is HMLFZZACHDEONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-12-3-1-11(2-4-12)15(5-7-21-8-6-15)14(20)19-13-9-17-18-10-13/h1-4,9-10H,5-8H2,(H,17,18)(H,19,20).
What are the key properties of 4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide?
4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide is sourced from PubChem (CID 71937459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).