N-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H20N4O2 — CID 50926768

IUPACN-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)NC3CCCCCC3)c2n1
InChIInChI=1S/C15H20N4O2/c1-10-8-13(20)19-14(17-10)12(9-16-19)15(21)18-11-6-4-2-3-5-7-11/h8-9,11,16H,2-7H2,1H3,(H,18,21)
InChIKeyVRNHUIZCVXMQLJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.78
Rot. Bonds2

About N-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 50926768) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID50926768
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)NC3CCCCCC3)c2n1
InChIInChI=1S/C15H20N4O2/c1-10-8-13(20)19-14(17-10)12(9-16-19)15(21)18-11-6-4-2-3-5-7-11/h8-9,11,16H,2-7H2,1H3,(H,18,21)
InChIKeyVRNHUIZCVXMQLJ-UHFFFAOYSA-N
XLogP1.78
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 50926768) is N-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(=O)n2[nH]cc(C(=O)NC3CCCCCC3)c2n1.
What is the InChIKey of N-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VRNHUIZCVXMQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-8-13(20)19-14(17-10)12(9-16-19)15(21)18-11-6-4-2-3-5-7-11/h8-9,11,16H,2-7H2,1H3,(H,18,21).
What are the key properties of N-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 50926768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).