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

C11H15F2N3O — CID 136517272

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C11H15F2N3O/c1-11(2)3-8(11)10(17)15-7-4-14-16(5-7)6-9(12)13/h4-5,8-9H,3,6H2,1-2H3,(H,15,17)
InChIKeyVGUIVRXDGXVKOQ-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.13
Rot. Bonds4

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

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 136517272) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID136517272
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C11H15F2N3O/c1-11(2)3-8(11)10(17)15-7-4-14-16(5-7)6-9(12)13/h4-5,8-9H,3,6H2,1-2H3,(H,15,17)
InChIKeyVGUIVRXDGXVKOQ-UHFFFAOYSA-N
XLogP2.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 107000358
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
CID 119328781
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide
CID 111458225
1-cyclohexyl-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-methylurea
CID 126780377
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-propan-2-ylmorpholine-4-carboxamide
CID 75448476
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 71984828
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119328772
2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide
CID 119328796
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-7-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 146076168
methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate
CID 154881995
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide
CID 119792885
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide
CID 86783234

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide (CID 136517272) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1cnn(CC(F)F)c1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is VGUIVRXDGXVKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-11(2)3-8(11)10(17)15-7-4-14-16(5-7)6-9(12)13/h4-5,8-9H,3,6H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 243.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 136517272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).