5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine

C16H25N5 — CID 56914218

IUPAC5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCCCCN2CCCC2)n2nccc2n1
InChIInChI=1S/C16H25N5/c1-2-14-13-16(21-15(19-14)7-9-18-21)17-8-3-4-10-20-11-5-6-12-20/h7,9,13,17H,2-6,8,10-12H2,1H3
InChIKeyKESMWHOKILUKGC-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.58
Rot. Bonds7

About 5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56914218) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56914218
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCCCCN2CCCC2)n2nccc2n1
InChIInChI=1S/C16H25N5/c1-2-14-13-16(21-15(19-14)7-9-18-21)17-8-3-4-10-20-11-5-6-12-20/h7,9,13,17H,2-6,8,10-12H2,1H3
InChIKeyKESMWHOKILUKGC-UHFFFAOYSA-N
XLogP2.58
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890779
2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 82460544
2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-(furan-2-yl)ethanol
CID 70720346
5-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890412
3-[(1S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-hydroxyethyl]phenol
CID 95869952
5-chloro-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 23131907
3-[[(3S)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methyl]phenol
CID 95869229
(3R)-3-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one
CID 95718361
N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95709498
CID 88986614
CID 88986614
5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70783218
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70710880

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56914218) is 5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCCCCN2CCCC2)n2nccc2n1.
What is the InChIKey of 5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KESMWHOKILUKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-2-14-13-16(21-15(19-14)7-9-18-21)17-8-3-4-10-20-11-5-6-12-20/h7,9,13,17H,2-6,8,10-12H2,1H3.
What are the key properties of 5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 287.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56914218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).