N,N,2-trimethyl-7-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C15H17F3N6O2 — CID 74232810

IUPACN,N,2-trimethyl-7-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCc1nc2n(c1C(=O)N(C)C)CCN(C(=O)c1cc(C(F)(F)F)[nH]n1)C2
InChIInChI=1S/C15H17F3N6O2/c1-8-12(14(26)22(2)3)24-5-4-23(7-11(24)19-8)13(25)9-6-10(21-20-9)15(16,17)18/h6H,4-5,7H2,1-3H3,(H,20,21)
InChIKeyPCYKQQFMLCLGNW-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.29
Rot. Bonds2

About N,N,2-trimethyl-7-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

N,N,2-trimethyl-7-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 74232810) has the molecular formula C15H17F3N6O2 and a molecular weight of 370.34 g/mol. Its IUPAC name is N,N,2-trimethyl-7-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-7-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID74232810
Molecular FormulaC15H17F3N6O2
Molecular Weight370.34 g/mol
Exact Mass370.14
IUPAC NameN,N,2-trimethyl-7-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCc1nc2n(c1C(=O)N(C)C)CCN(C(=O)c1cc(C(F)(F)F)[nH]n1)C2
InChIInChI=1S/C15H17F3N6O2/c1-8-12(14(26)22(2)3)24-5-4-23(7-11(24)19-8)13(25)9-6-10(21-20-9)15(16,17)18/h6H,4-5,7H2,1-3H3,(H,20,21)
InChIKeyPCYKQQFMLCLGNW-UHFFFAOYSA-N
XLogP1.29
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-7-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N,N,2-trimethyl-7-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 74232810) is N,N,2-trimethyl-7-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-7-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N,N,2-trimethyl-7-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is Cc1nc2n(c1C(=O)N(C)C)CCN(C(=O)c1cc(C(F)(F)F)[nH]n1)C2.
What is the InChIKey of N,N,2-trimethyl-7-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is PCYKQQFMLCLGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2/c1-8-12(14(26)22(2)3)24-5-4-23(7-11(24)19-8)13(25)9-6-10(21-20-9)15(16,17)18/h6H,4-5,7H2,1-3H3,(H,20,21).
What are the key properties of N,N,2-trimethyl-7-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
N,N,2-trimethyl-7-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 370.34 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-7-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 74232810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).