N-cyclohexyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide

C17H26N4O2 — CID 20928957

IUPACN-cyclohexyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NC1CCCCC1
InChIInChI=1S/C17H26N4O2/c1-13-12-16-20(17(23)9-11-21(16)19-13)10-5-8-15(22)18-14-6-3-2-4-7-14/h12,14H,2-11H2,1H3,(H,18,22)
InChIKeyLLZQTSGCUPNYQB-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.16
Rot. Bonds5

About N-cyclohexyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide

N-cyclohexyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (PubChem CID 20928957) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
PubChem CID20928957
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-cyclohexyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NC1CCCCC1
InChIInChI=1S/C17H26N4O2/c1-13-12-16-20(17(23)9-11-21(16)19-13)10-5-8-15(22)18-14-6-3-2-4-7-14/h12,14H,2-11H2,1H3,(H,18,22)
InChIKeyLLZQTSGCUPNYQB-UHFFFAOYSA-N
XLogP2.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The IUPAC name of N-cyclohexyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (CID 20928957) is N-cyclohexyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.
What is the SMILES notation for N-cyclohexyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The canonical SMILES for N-cyclohexyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The InChIKey is LLZQTSGCUPNYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-12-16-20(17(23)9-11-21(16)19-13)10-5-8-15(22)18-14-6-3-2-4-7-14/h12,14H,2-11H2,1H3,(H,18,22).
What are the key properties of N-cyclohexyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
N-cyclohexyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide has a molecular weight of 318.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is sourced from PubChem (CID 20928957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).