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

C18H29N5O2 — CID 20928950

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCCN1CCCC1CNC(=O)CCCN1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C18H29N5O2/c1-3-21-9-4-6-15(21)13-19-16(24)7-5-10-22-17-12-14(2)20-23(17)11-8-18(22)25/h12,15H,3-11,13H2,1-2H3,(H,19,24)
InChIKeyHHHXRWOIUCSTDC-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.31
Rot. Bonds7

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (PubChem CID 20928950) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
PubChem CID20928950
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCCN1CCCC1CNC(=O)CCCN1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C18H29N5O2/c1-3-21-9-4-6-15(21)13-19-16(24)7-5-10-22-17-12-14(2)20-23(17)11-8-18(22)25/h12,15H,3-11,13H2,1-2H3,(H,19,24)
InChIKeyHHHXRWOIUCSTDC-UHFFFAOYSA-N
XLogP1.31
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135600432
2-Piperidinone, 3-amino-1-(1,3-dimethyl-1H-pyrazol-5-yl)-
CID 56828034
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 46981201
N-(2,5-dimethylpyrazol-3-yl)-2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide
CID 72142326
Cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methylamino]piperidin-1-yl]methanone
CID 136196595
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(3-propan-2-yloxypropyl)butanamide
CID 46282409
N-(3-methylbutyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928939
N-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928944
N-(3-Ethoxypropyl)-4-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}butanamide
CID 20928953
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928954
N-(3-methoxypropyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928955
4-{2-Methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}-N-[3-(propan-2-yloxy)propyl]butanamide
CID 20928956

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (CID 20928950) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is CCN1CCCC1CNC(=O)CCCN1C(=O)CCn2nc(C)cc21.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The InChIKey is HHHXRWOIUCSTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-21-9-4-6-15(21)13-19-16(24)7-5-10-22-17-12-14(2)20-23(17)11-8-18(22)25/h12,15H,3-11,13H2,1-2H3,(H,19,24).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide has a molecular weight of 347.46 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is sourced from PubChem (CID 20928950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).