N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide

C11H15F2N3O2 — CID 111458225

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1cnn(CC(F)F)c1)C1(O)CCCC1
InChIInChI=1S/C11H15F2N3O2/c12-9(13)7-16-6-8(5-14-16)15-10(17)11(18)3-1-2-4-11/h5-6,9,18H,1-4,7H2,(H,15,17)
InChIKeyKZDWUXXJCRBJKU-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.39
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide (PubChem CID 111458225) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide
PubChem CID111458225
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide
SMILESO=C(Nc1cnn(CC(F)F)c1)C1(O)CCCC1
InChIInChI=1S/C11H15F2N3O2/c12-9(13)7-16-6-8(5-14-16)15-10(17)11(18)3-1-2-4-11/h5-6,9,18H,1-4,7H2,(H,15,17)
InChIKeyKZDWUXXJCRBJKU-UHFFFAOYSA-N
XLogP1.39
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 136517272
1-cyclohexyl-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-methylurea
CID 126780377
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide
CID 119792885
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 51090234
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
CID 119328781
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 71984828
2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide
CID 119328796
1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea
CID 56795130
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 146076168
1-amino-N-(1-ethylpyrazol-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119292190
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[4-(triazol-2-yl)phenyl]urea
CID 71867165
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119328772

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide (CID 111458225) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide is O=C(Nc1cnn(CC(F)F)c1)C1(O)CCCC1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide?
The InChIKey is KZDWUXXJCRBJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c12-9(13)7-16-6-8(5-14-16)15-10(17)11(18)3-1-2-4-11/h5-6,9,18H,1-4,7H2,(H,15,17).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 111458225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).