N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide

C9H13F2N3O2 — CID 107482872

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H13F2N3O2/c1-13-7(2-3-12-13)9(16)14(4-5-15)6-8(10)11/h2-3,8,15H,4-6H2,1H3
InChIKeyLITYBFVVTQZORO-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.12
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide (PubChem CID 107482872) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide
PubChem CID107482872
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H13F2N3O2/c1-13-7(2-3-12-13)9(16)14(4-5-15)6-8(10)11/h2-3,8,15H,4-6H2,1H3
InChIKeyLITYBFVVTQZORO-UHFFFAOYSA-N
XLogP0.12
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-carboxamide
CID 107491265
2-[(2-methylpyrazole-3-carbonyl)-propylamino]acetic acid
CID 61006717
N-(2-bromoethyl)-2-methyl-N-propylpyrazole-3-carboxamide
CID 80665546
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-phenylimidazole-4-carboxamide
CID 107483116
2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 61011424
N-(2,2-difluoroethyl)-2,3-difluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 107479235
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 107482794
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide
CID 107481586
N-(3-aminopropyl)-2-methyl-N-propylpyrazole-3-carboxamide
CID 62921296
N-(2-chloroethyl)-N,2-dimethylpyrazole-3-carboxamide
CID 63391388
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methoxypyridine-3-carboxamide
CID 107483009
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
CID 107486032

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide (CID 107482872) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is LITYBFVVTQZORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c1-13-7(2-3-12-13)9(16)14(4-5-15)6-8(10)11/h2-3,8,15H,4-6H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 233.22 g/mol, XLogP of 0.12, 5 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)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 107482872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).