tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C16H21F3N4O3 — CID 156773115

IUPACtert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2ncc(C(=O)NC3(C(F)(F)F)CC3)c2C1
InChIInChI=1S/C16H21F3N4O3/c1-14(2,3)26-13(25)22-6-7-23-11(9-22)10(8-20-23)12(24)21-15(4-5-15)16(17,18)19/h8H,4-7,9H2,1-3H3,(H,21,24)
InChIKeyMYZOVNHLBIPXHE-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.46
Rot. Bonds2

About tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 156773115) has the molecular formula C16H21F3N4O3 and a molecular weight of 374.36 g/mol. Its IUPAC name is tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID156773115
Molecular FormulaC16H21F3N4O3
Molecular Weight374.36 g/mol
Exact Mass374.16
IUPAC Nametert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2ncc(C(=O)NC3(C(F)(F)F)CC3)c2C1
InChIInChI=1S/C16H21F3N4O3/c1-14(2,3)26-13(25)22-6-7-23-11(9-22)10(8-20-23)12(24)21-15(4-5-15)16(17,18)19/h8H,4-7,9H2,1-3H3,(H,21,24)
InChIKeyMYZOVNHLBIPXHE-UHFFFAOYSA-N
XLogP2.46
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 156773115) is tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NC3(C(F)(F)F)CC3)c2C1.
What is the InChIKey of tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is MYZOVNHLBIPXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O3/c1-14(2,3)26-13(25)22-6-7-23-11(9-22)10(8-20-23)12(24)21-15(4-5-15)16(17,18)19/h8H,4-7,9H2,1-3H3,(H,21,24).
What are the key properties of tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 374.36 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 156773115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).