1-(oxan-2-yl)-3-phenylpyrazole

C14H16N2O — CID 70901785

IUPAC1-(oxan-2-yl)-3-phenylpyrazole
SMILESc1ccc(-c2ccn(C3CCCCO3)n2)cc1
InChIInChI=1S/C14H16N2O/c1-2-6-12(7-3-1)13-9-10-16(15-13)14-8-4-5-11-17-14/h1-3,6-7,9-10,14H,4-5,8,11H2
InChIKeyHGHCHRYYBKRSAK-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.25
Rot. Bonds2

About 1-(oxan-2-yl)-3-phenylpyrazole

1-(oxan-2-yl)-3-phenylpyrazole (PubChem CID 70901785) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(oxan-2-yl)-3-phenylpyrazole.

Molecular Properties

Compound Name1-(oxan-2-yl)-3-phenylpyrazole
PubChem CID70901785
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(oxan-2-yl)-3-phenylpyrazole
SMILESc1ccc(-c2ccn(C3CCCCO3)n2)cc1
InChIInChI=1S/C14H16N2O/c1-2-6-12(7-3-1)13-9-10-16(15-13)14-8-4-5-11-17-14/h1-3,6-7,9-10,14H,4-5,8,11H2
InChIKeyHGHCHRYYBKRSAK-UHFFFAOYSA-N
XLogP3.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-phenyl-1H-pyrazole
CID 137946
3-Cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
CID 3659088
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CID 21219154
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
1,3-Diphenyl-1H-pyrazole
CID 613284
1-(Oxan-2-yl)-1H-indazol-5-amine
CID 22933927
1-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine
CID 44118233
2-chloro-4-(1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-yl)benzonitrile
CID 70656253
N-[(E)-(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-N-(4-morpholinyl)amine
CID 9553542
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
CID 16190145
1-[[3-(2-Fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-propoxypiperidine
CID 16192474
ethyl (Z)-3-(3-phenylpyrazol-1-yl)prop-2-enoate
CID 44589509

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-3-phenylpyrazole?
The IUPAC name of 1-(oxan-2-yl)-3-phenylpyrazole (CID 70901785) is 1-(oxan-2-yl)-3-phenylpyrazole.
What is the SMILES notation for 1-(oxan-2-yl)-3-phenylpyrazole?
The canonical SMILES for 1-(oxan-2-yl)-3-phenylpyrazole is c1ccc(-c2ccn(C3CCCCO3)n2)cc1.
What is the InChIKey of 1-(oxan-2-yl)-3-phenylpyrazole?
The InChIKey is HGHCHRYYBKRSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-6-12(7-3-1)13-9-10-16(15-13)14-8-4-5-11-17-14/h1-3,6-7,9-10,14H,4-5,8,11H2.
What are the key properties of 1-(oxan-2-yl)-3-phenylpyrazole?
1-(oxan-2-yl)-3-phenylpyrazole has a molecular weight of 228.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-3-phenylpyrazole is sourced from PubChem (CID 70901785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).