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

C23H34N4O2 — CID 46282334

IUPACN-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H34N4O2/c1-15-8-21-26(22(29)5-7-27(21)25-15)6-3-4-20(28)24-16(2)23-12-17-9-18(13-23)11-19(10-17)14-23/h8,16-19H,3-7,9-14H2,1-2H3,(H,24,28)
InChIKeyHYWRMAHMEXJTEE-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.43
Rot. Bonds6

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

N-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (PubChem CID 46282334) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
PubChem CID46282334
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H34N4O2/c1-15-8-21-26(22(29)5-7-27(21)25-15)6-3-4-20(28)24-16(2)23-12-17-9-18(13-23)11-19(10-17)14-23/h8,16-19H,3-7,9-14H2,1-2H3,(H,24,28)
InChIKeyHYWRMAHMEXJTEE-UHFFFAOYSA-N
XLogP3.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928939
N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4810854
4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide
CID 20928942
N-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928946
N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928985
N-[(1R)-1-(1-adamantyl)ethyl]-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide
CID 92679023
N-[(1S)-1-(1-adamantyl)ethyl]-4-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide
CID 92678971
N-[(1S)-1-(1-adamantyl)ethyl]-4-(4-chloro-2-methylphenoxy)butanamide
CID 40563664
N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 7689141
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 40761680
N-[(1S)-1-(1-adamantyl)ethyl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 93052161

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (CID 46282334) is N-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The InChIKey is HYWRMAHMEXJTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-15-8-21-26(22(29)5-7-27(21)25-15)6-3-4-20(28)24-16(2)23-12-17-9-18(13-23)11-19(10-17)14-23/h8,16-19H,3-7,9-14H2,1-2H3,(H,24,28).
What are the key properties of N-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
N-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide has a molecular weight of 398.55 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is sourced from PubChem (CID 46282334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).