4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid

C14H22F2N4O2 — CID 146599695

IUPAC4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid
SMILESCC(C)(C)C1CN(C(=O)O)CCC1n1cc(N)c(C(F)F)n1
InChIInChI=1S/C14H22F2N4O2/c1-14(2,3)8-6-19(13(21)22)5-4-10(8)20-7-9(17)11(18-20)12(15)16/h7-8,10,12H,4-6,17H2,1-3H3,(H,21,22)
InChIKeyGWXWLMCJPVFCKV-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.99
Rot. Bonds2

About 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid

4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid (PubChem CID 146599695) has the molecular formula C14H22F2N4O2 and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid
PubChem CID146599695
Molecular FormulaC14H22F2N4O2
Molecular Weight316.35 g/mol
Exact Mass316.17
IUPAC Name4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid
SMILESCC(C)(C)C1CN(C(=O)O)CCC1n1cc(N)c(C(F)F)n1
InChIInChI=1S/C14H22F2N4O2/c1-14(2,3)8-6-19(13(21)22)5-4-10(8)20-7-9(17)11(18-20)12(15)16/h7-8,10,12H,4-6,17H2,1-3H3,(H,21,22)
InChIKeyGWXWLMCJPVFCKV-UHFFFAOYSA-N
XLogP2.99
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid?
The IUPAC name of 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid (CID 146599695) is 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid is CC(C)(C)C1CN(C(=O)O)CCC1n1cc(N)c(C(F)F)n1.
What is the InChIKey of 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid?
The InChIKey is GWXWLMCJPVFCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O2/c1-14(2,3)8-6-19(13(21)22)5-4-10(8)20-7-9(17)11(18-20)12(15)16/h7-8,10,12H,4-6,17H2,1-3H3,(H,21,22).
What are the key properties of 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid?
4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid has a molecular weight of 316.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid is sourced from PubChem (CID 146599695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).