2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide

C13H17N5O2 — CID 167815780

IUPAC2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide
SMILESCc1cnc(C2(NC(=O)c3cc(=O)n(C)[nH]3)CCC2)[nH]1
InChIInChI=1S/C13H17N5O2/c1-8-7-14-12(15-8)13(4-3-5-13)16-11(20)9-6-10(19)18(2)17-9/h6-7,17H,3-5H2,1-2H3,(H,14,15)(H,16,20)
InChIKeyVNUAEXKFAUNXAW-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.55
Rot. Bonds3

About 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide

2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide (PubChem CID 167815780) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide
PubChem CID167815780
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide
SMILESCc1cnc(C2(NC(=O)c3cc(=O)n(C)[nH]3)CCC2)[nH]1
InChIInChI=1S/C13H17N5O2/c1-8-7-14-12(15-8)13(4-3-5-13)16-11(20)9-6-10(19)18(2)17-9/h6-7,17H,3-5H2,1-2H3,(H,14,15)(H,16,20)
InChIKeyVNUAEXKFAUNXAW-UHFFFAOYSA-N
XLogP0.55
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide (CID 167815780) is 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide is Cc1cnc(C2(NC(=O)c3cc(=O)n(C)[nH]3)CCC2)[nH]1.
What is the InChIKey of 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide?
The InChIKey is VNUAEXKFAUNXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8-7-14-12(15-8)13(4-3-5-13)16-11(20)9-6-10(19)18(2)17-9/h6-7,17H,3-5H2,1-2H3,(H,14,15)(H,16,20).
What are the key properties of 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide?
2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167815780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).