N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide

C14H15F2N3O2 — CID 107482740

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(c1ccn(-c2ccccc2)n1)N(CCO)CC(F)F
InChIInChI=1S/C14H15F2N3O2/c15-13(16)10-18(8-9-20)14(21)12-6-7-19(17-12)11-4-2-1-3-5-11/h1-7,13,20H,8-10H2
InChIKeyZWQGPRWYWABYOY-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.57
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 107482740) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
PubChem CID107482740
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(c1ccn(-c2ccccc2)n1)N(CCO)CC(F)F
InChIInChI=1S/C14H15F2N3O2/c15-13(16)10-18(8-9-20)14(21)12-6-7-19(17-12)11-4-2-1-3-5-11/h1-7,13,20H,8-10H2
InChIKeyZWQGPRWYWABYOY-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide
CID 107483116
1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide
CID 61115162
2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol
CID 107485726
1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 52638173
3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 60988552
methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 60520905
N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 39954880
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 107483137
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 60827395

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide (CID 107482740) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide is O=C(c1ccn(-c2ccccc2)n1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is ZWQGPRWYWABYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c15-13(16)10-18(8-9-20)14(21)12-6-7-19(17-12)11-4-2-1-3-5-11/h1-7,13,20H,8-10H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 107482740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).