N-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide

C13H16ClN5O — CID 146558364

IUPACN-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1cc(NC2CCCC2)n2ncc(Cl)c2n1
InChIInChI=1S/C13H16ClN5O/c1-8(20)16-11-6-12(17-9-4-2-3-5-9)19-13(18-11)10(14)7-15-19/h6-7,9,17H,2-5H2,1H3,(H,16,18,20)
InChIKeyHYBNTYMSGKDPIN-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.70
Rot. Bonds3

About N-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide

N-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide (PubChem CID 146558364) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is N-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide
PubChem CID146558364
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC NameN-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1cc(NC2CCCC2)n2ncc(Cl)c2n1
InChIInChI=1S/C13H16ClN5O/c1-8(20)16-11-6-12(17-9-4-2-3-5-9)19-13(18-11)10(14)7-15-19/h6-7,9,17H,2-5H2,1H3,(H,16,18,20)
InChIKeyHYBNTYMSGKDPIN-UHFFFAOYSA-N
XLogP2.70
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide?
The IUPAC name of N-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide (CID 146558364) is N-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide is CC(=O)Nc1cc(NC2CCCC2)n2ncc(Cl)c2n1.
What is the InChIKey of N-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide?
The InChIKey is HYBNTYMSGKDPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-8(20)16-11-6-12(17-9-4-2-3-5-9)19-13(18-11)10(14)7-15-19/h6-7,9,17H,2-5H2,1H3,(H,16,18,20).
What are the key properties of N-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide?
N-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide has a molecular weight of 293.76 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 146558364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).