tert-butyl-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamic acid

C15H23F2N3O2 — CID 156514325

IUPACtert-butyl-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCC(c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C15H23F2N3O2/c1-15(2,3)20(14(21)22)12-6-4-10(5-7-12)11-8-18-19(9-11)13(16)17/h8-10,12-13H,4-7H2,1-3H3,(H,21,22)
InChIKeyHQBQPWBLCMBZMV-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.08
Rot. Bonds3

About tert-butyl-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamic acid

tert-butyl-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamic acid (PubChem CID 156514325) has the molecular formula C15H23F2N3O2 and a molecular weight of 315.36 g/mol. Its IUPAC name is tert-butyl-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamic acid
PubChem CID156514325
Molecular FormulaC15H23F2N3O2
Molecular Weight315.36 g/mol
Exact Mass315.18
IUPAC Nametert-butyl-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCC(c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C15H23F2N3O2/c1-15(2,3)20(14(21)22)12-6-4-10(5-7-12)11-8-18-19(9-11)13(16)17/h8-10,12-13H,4-7H2,1-3H3,(H,21,22)
InChIKeyHQBQPWBLCMBZMV-UHFFFAOYSA-N
XLogP4.08
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamic acid?
The IUPAC name of tert-butyl-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamic acid (CID 156514325) is tert-butyl-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamic acid.
What is the SMILES notation for tert-butyl-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamic acid?
The canonical SMILES for tert-butyl-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamic acid is CC(C)(C)N(C(=O)O)C1CCC(c2cnn(C(F)F)c2)CC1.
What is the InChIKey of tert-butyl-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamic acid?
The InChIKey is HQBQPWBLCMBZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2/c1-15(2,3)20(14(21)22)12-6-4-10(5-7-12)11-8-18-19(9-11)13(16)17/h8-10,12-13H,4-7H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamic acid?
tert-butyl-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamic acid has a molecular weight of 315.36 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[1-(difluoromethyl)pyrazol-4-yl]cyclohexyl]carbamic acid is sourced from PubChem (CID 156514325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).