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

C15H23F2N5O2 — CID 71867123

IUPAC4-(2,2-difluoroethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)N1CCN(CC(F)F)CC1
InChIInChI=1S/C15H23F2N5O2/c16-14(17)11-20-3-5-21(6-4-20)15(23)19-12-8-18-22(9-12)10-13-2-1-7-24-13/h8-9,13-14H,1-7,10-11H2,(H,19,23)
InChIKeyKFAZGHUWCGUHGX-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.48
Rot. Bonds5

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

4-(2,2-difluoroethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide (PubChem CID 71867123) has the molecular formula C15H23F2N5O2 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide
PubChem CID71867123
Molecular FormulaC15H23F2N5O2
Molecular Weight343.38 g/mol
Exact Mass343.18
IUPAC Name4-(2,2-difluoroethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)N1CCN(CC(F)F)CC1
InChIInChI=1S/C15H23F2N5O2/c16-14(17)11-20-3-5-21(6-4-20)15(23)19-12-8-18-22(9-12)10-13-2-1-7-24-13/h8-9,13-14H,1-7,10-11H2,(H,19,23)
InChIKeyKFAZGHUWCGUHGX-UHFFFAOYSA-N
XLogP1.48
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,2-difluoroethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide (CID 71867123) is 4-(2,2-difluoroethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide is O=C(Nc1cnn(CC2CCCO2)c1)N1CCN(CC(F)F)CC1.
What is the InChIKey of 4-(2,2-difluoroethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide?
The InChIKey is KFAZGHUWCGUHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N5O2/c16-14(17)11-20-3-5-21(6-4-20)15(23)19-12-8-18-22(9-12)10-13-2-1-7-24-13/h8-9,13-14H,1-7,10-11H2,(H,19,23).
What are the key properties of 4-(2,2-difluoroethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide?
4-(2,2-difluoroethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 71867123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).