N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide

C15H21N5O2 — CID 75514181

IUPACN-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide
SMILESCc1nc(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)c(=O)[nH]c1C
InChIInChI=1S/C15H21N5O2/c1-8-9(2)17-13(21)12(16-8)14(22)18-11-6-10(19-20-11)7-15(3,4)5/h6H,7H2,1-5H3,(H,17,21)(H2,18,19,20,22)
InChIKeyLLISVDONAASCIL-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.95
Rot. Bonds3

About N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide

N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide (PubChem CID 75514181) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide
PubChem CID75514181
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide
SMILESCc1nc(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)c(=O)[nH]c1C
InChIInChI=1S/C15H21N5O2/c1-8-9(2)17-13(21)12(16-8)14(22)18-11-6-10(19-20-11)7-15(3,4)5/h6H,7H2,1-5H3,(H,17,21)(H2,18,19,20,22)
InChIKeyLLISVDONAASCIL-UHFFFAOYSA-N
XLogP1.95
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide (CID 75514181) is N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide is Cc1nc(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)c(=O)[nH]c1C.
What is the InChIKey of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is LLISVDONAASCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-8-9(2)17-13(21)12(16-8)14(22)18-11-6-10(19-20-11)7-15(3,4)5/h6H,7H2,1-5H3,(H,17,21)(H2,18,19,20,22).
What are the key properties of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide?
N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 75514181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).