5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide

C14H11F2N5O2 — CID 166323565

IUPAC5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C14H11F2N5O2/c1-7-2-3-8(14-21-17-6-23-14)4-9(7)18-13(22)11-5-10(12(15)16)19-20-11/h2-6,12H,1H3,(H,18,22)(H,19,20)
InChIKeyHHRSATIMDIVIOD-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.96
Rot. Bonds4

About 5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide

5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 166323565) has the molecular formula C14H11F2N5O2 and a molecular weight of 319.27 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
PubChem CID166323565
Molecular FormulaC14H11F2N5O2
Molecular Weight319.27 g/mol
Exact Mass319.09
IUPAC Name5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C14H11F2N5O2/c1-7-2-3-8(14-21-17-6-23-14)4-9(7)18-13(22)11-5-10(12(15)16)19-20-11/h2-6,12H,1H3,(H,18,22)(H,19,20)
InChIKeyHHRSATIMDIVIOD-UHFFFAOYSA-N
XLogP2.96
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 106685977
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CID 60954664
2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618296
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 43706124
3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 63679608
N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47245202
1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111474811
(2S)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 61180590
4-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 60842599

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide (CID 166323565) is 5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2nnco2)cc1NC(=O)c1cc(C(F)F)[nH]n1.
What is the InChIKey of 5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is HHRSATIMDIVIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5O2/c1-7-2-3-8(14-21-17-6-23-14)4-9(7)18-13(22)11-5-10(12(15)16)19-20-11/h2-6,12H,1H3,(H,18,22)(H,19,20).
What are the key properties of 5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide?
5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 319.27 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 166323565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).