1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone

C14H12F4N6O2 — CID 19519015

IUPAC1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N1N=C(C(F)F)CC1(O)C(F)F
InChIInChI=1S/C14H12F4N6O2/c15-11(16)9-6-14(26,13(17)18)24(20-9)10(25)7-23-21-12(19-22-23)8-4-2-1-3-5-8/h1-5,11,13,26H,6-7H2
InChIKeyBSLHYFDSKFXJAV-UHFFFAOYSA-N
MW372.28 g/mol
LogP1.15
Rot. Bonds5

About 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone

1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone (PubChem CID 19519015) has the molecular formula C14H12F4N6O2 and a molecular weight of 372.28 g/mol. Its IUPAC name is 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
PubChem CID19519015
Molecular FormulaC14H12F4N6O2
Molecular Weight372.28 g/mol
Exact Mass372.10
IUPAC Name1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N1N=C(C(F)F)CC1(O)C(F)F
InChIInChI=1S/C14H12F4N6O2/c15-11(16)9-6-14(26,13(17)18)24(20-9)10(25)7-23-21-12(19-22-23)8-4-2-1-3-5-8/h1-5,11,13,26H,6-7H2
InChIKeyBSLHYFDSKFXJAV-UHFFFAOYSA-N
XLogP1.15
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-(2,6-diethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508168
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(3,4-dimethylphenyl)methanone
CID 4142117
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
N-[(1-hydroxycyclohexyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 111445934
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 2433301
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 5205838
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3,4-diethoxyphenyl)ethanone
CID 4061425
1-[(5R)-3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3,4-diethoxyphenyl)ethanone
CID 998702
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 56816775
2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide
CID 9468304

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
The IUPAC name of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone (CID 19519015) is 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
The canonical SMILES for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone is O=C(Cn1nnc(-c2ccccc2)n1)N1N=C(C(F)F)CC1(O)C(F)F.
What is the InChIKey of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
The InChIKey is BSLHYFDSKFXJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N6O2/c15-11(16)9-6-14(26,13(17)18)24(20-9)10(25)7-23-21-12(19-22-23)8-4-2-1-3-5-8/h1-5,11,13,26H,6-7H2.
What are the key properties of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone has a molecular weight of 372.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone is sourced from PubChem (CID 19519015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).