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

C15H23F2N5O2 — CID 71984828

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
SMILESCC(C)(C)C(=O)N1CCN(C(=O)Nc2cnn(CC(F)F)c2)CC1
InChIInChI=1S/C15H23F2N5O2/c1-15(2,3)13(23)20-4-6-21(7-5-20)14(24)19-11-8-18-22(9-11)10-12(16)17/h8-9,12H,4-7,10H2,1-3H3,(H,19,24)
InChIKeyHVJJUDGEYYSLLC-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.87
Rot. Bonds3

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

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide (PubChem CID 71984828) has the molecular formula C15H23F2N5O2 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
PubChem CID71984828
Molecular FormulaC15H23F2N5O2
Molecular Weight343.38 g/mol
Exact Mass343.18
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
SMILESCC(C)(C)C(=O)N1CCN(C(=O)Nc2cnn(CC(F)F)c2)CC1
InChIInChI=1S/C15H23F2N5O2/c1-15(2,3)13(23)20-4-6-21(7-5-20)14(24)19-11-8-18-22(9-11)10-12(16)17/h8-9,12H,4-7,10H2,1-3H3,(H,19,24)
InChIKeyHVJJUDGEYYSLLC-UHFFFAOYSA-N
XLogP1.87
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide (CID 71984828) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide is CC(C)(C)C(=O)N1CCN(C(=O)Nc2cnn(CC(F)F)c2)CC1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide?
The InChIKey is HVJJUDGEYYSLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N5O2/c1-15(2,3)13(23)20-4-6-21(7-5-20)14(24)19-11-8-18-22(9-11)10-12(16)17/h8-9,12H,4-7,10H2,1-3H3,(H,19,24).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 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]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide is sourced from PubChem (CID 71984828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).