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

C19H33N5O2 — CID 20928964

IUPACN-[2-[butyl(ethyl)amino]ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCCCCN(CC)CCNC(=O)CCCN1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C19H33N5O2/c1-4-6-11-22(5-2)14-10-20-17(25)8-7-12-23-18-15-16(3)21-24(18)13-9-19(23)26/h15H,4-14H2,1-3H3,(H,20,25)
InChIKeyFCZHLHPQCBUNKN-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.95
Rot. Bonds11

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

N-[2-[butyl(ethyl)amino]ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (PubChem CID 20928964) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[2-[butyl(ethyl)amino]ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.

Molecular Properties

Compound NameN-[2-[butyl(ethyl)amino]ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
PubChem CID20928964
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC NameN-[2-[butyl(ethyl)amino]ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCCCCN(CC)CCNC(=O)CCCN1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C19H33N5O2/c1-4-6-11-22(5-2)14-10-20-17(25)8-7-12-23-18-15-16(3)21-24(18)13-9-19(23)26/h15H,4-14H2,1-3H3,(H,20,25)
InChIKeyFCZHLHPQCBUNKN-UHFFFAOYSA-N
XLogP1.95
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.95
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)-2,4-dimethylpiperazine-1-carboxamide
CID 71877042
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-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(2-oxopiperazin-1-yl)acetamide
CID 90256814
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-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928950
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(ethyl)amino]ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The IUPAC name of N-[2-[butyl(ethyl)amino]ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (CID 20928964) is N-[2-[butyl(ethyl)amino]ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.
What is the SMILES notation for N-[2-[butyl(ethyl)amino]ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The canonical SMILES for N-[2-[butyl(ethyl)amino]ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is CCCCN(CC)CCNC(=O)CCCN1C(=O)CCn2nc(C)cc21.
What is the InChIKey of N-[2-[butyl(ethyl)amino]ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The InChIKey is FCZHLHPQCBUNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-4-6-11-22(5-2)14-10-20-17(25)8-7-12-23-18-15-16(3)21-24(18)13-9-19(23)26/h15H,4-14H2,1-3H3,(H,20,25).
What are the key properties of N-[2-[butyl(ethyl)amino]ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
N-[2-[butyl(ethyl)amino]ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide has a molecular weight of 363.51 g/mol, XLogP of 1.95, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(ethyl)amino]ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is sourced from PubChem (CID 20928964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).