(4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine

C14H23F2N3 — CID 134186168

IUPAC(4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine
SMILESC[C@@H]1c2c(N(C)C)nn(C(C)(C)C)c2C(F)(F)[C@@H]1C
InChIInChI=1S/C14H23F2N3/c1-8-9(2)14(15,16)11-10(8)12(18(6)7)17-19(11)13(3,4)5/h8-9H,1-7H3/t8-,9+/m0/s1
InChIKeyLOPYCHALFIBMEM-DTWKUNHWSA-N
MW271.35 g/mol
LogP3.55
Rot. Bonds1

About (4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine

(4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine (PubChem CID 134186168) has the molecular formula C14H23F2N3 and a molecular weight of 271.35 g/mol. Its IUPAC name is (4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine.

Molecular Properties

Compound Name(4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine
PubChem CID134186168
Molecular FormulaC14H23F2N3
Molecular Weight271.35 g/mol
Exact Mass271.19
IUPAC Name(4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine
SMILESC[C@@H]1c2c(N(C)C)nn(C(C)(C)C)c2C(F)(F)[C@@H]1C
InChIInChI=1S/C14H23F2N3/c1-8-9(2)14(15,16)11-10(8)12(18(6)7)17-19(11)13(3,4)5/h8-9H,1-7H3/t8-,9+/m0/s1
InChIKeyLOPYCHALFIBMEM-DTWKUNHWSA-N
XLogP3.55
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine?
The IUPAC name of (4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine (CID 134186168) is (4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine.
What is the SMILES notation for (4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine?
The canonical SMILES for (4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine is C[C@@H]1c2c(N(C)C)nn(C(C)(C)C)c2C(F)(F)[C@@H]1C.
What is the InChIKey of (4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine?
The InChIKey is LOPYCHALFIBMEM-DTWKUNHWSA-N. The full InChI is InChI=1S/C14H23F2N3/c1-8-9(2)14(15,16)11-10(8)12(18(6)7)17-19(11)13(3,4)5/h8-9H,1-7H3/t8-,9+/m0/s1.
What are the key properties of (4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine?
(4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine has a molecular weight of 271.35 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-tert-butyl-6,6-difluoro-N,N,4,5-tetramethyl-4,5-dihydrocyclopenta[d]pyrazol-3-amine is sourced from PubChem (CID 134186168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).