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

C18H23N5O2 — CID 46349553

IUPACN-cyclopropyl-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide
SMILESCn1cccc1-c1cc2n(n1)CCC(=O)N2CCCC(=O)NC1CC1
InChIInChI=1S/C18H23N5O2/c1-21-9-2-4-15(21)14-12-17-22(18(25)8-11-23(17)20-14)10-3-5-16(24)19-13-6-7-13/h2,4,9,12-13H,3,5-8,10-11H2,1H3,(H,19,24)
InChIKeyJSCXIXLNDLWKGI-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.68
Rot. Bonds6

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

N-cyclopropyl-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide (PubChem CID 46349553) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide
PubChem CID46349553
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC NameN-cyclopropyl-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide
SMILESCn1cccc1-c1cc2n(n1)CCC(=O)N2CCCC(=O)NC1CC1
InChIInChI=1S/C18H23N5O2/c1-21-9-2-4-15(21)14-12-17-22(18(25)8-11-23(17)20-14)10-3-5-16(24)19-13-6-7-13/h2,4,9,12-13H,3,5-8,10-11H2,1H3,(H,19,24)
InChIKeyJSCXIXLNDLWKGI-UHFFFAOYSA-N
XLogP1.68
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide
CID 46349558
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17034995
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-methylpyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20965943
4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 46349719
N-(4-methylcyclohexyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20928867
4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide
CID 20928942
4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-cyclohexylbenzamide
CID 53003716
N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885182
N-cycloheptyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885237
N-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide
CID 53049892
N-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928946
2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide
CID 53023365

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide?
The IUPAC name of N-cyclopropyl-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide (CID 46349553) is N-cyclopropyl-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide?
The canonical SMILES for N-cyclopropyl-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide is Cn1cccc1-c1cc2n(n1)CCC(=O)N2CCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide?
The InChIKey is JSCXIXLNDLWKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-21-9-2-4-15(21)14-12-17-22(18(25)8-11-23(17)20-14)10-3-5-16(24)19-13-6-7-13/h2,4,9,12-13H,3,5-8,10-11H2,1H3,(H,19,24).
What are the key properties of N-cyclopropyl-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide?
N-cyclopropyl-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide has a molecular weight of 341.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-(1-methylpyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]butanamide is sourced from PubChem (CID 46349553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).