trans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine

C15H23N5 — CID 146558380

IUPACtrans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
SMILESCCCCc1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1
InChIInChI=1S/C15H23N5/c1-2-3-4-12-10-15(19-13-6-5-11(16)9-13)20-14(18-12)7-8-17-20/h7-8,10-11,13,19H,2-6,9,16H2,1H3/t11-,13-/m0/s1
InChIKeyIOZHABZCYXZLPW-AAEUAGOBSA-N
MW273.38 g/mol
LogP2.36
Rot. Bonds5

About trans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine

trans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine (PubChem CID 146558380) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
PubChem CID146558380
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Nametrans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
SMILESCCCCc1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1
InChIInChI=1S/C15H23N5/c1-2-3-4-12-10-15(19-13-6-5-11(16)9-13)20-14(18-12)7-8-17-20/h7-8,10-11,13,19H,2-6,9,16H2,1H3/t11-,13-/m0/s1
InChIKeyIOZHABZCYXZLPW-AAEUAGOBSA-N
XLogP2.36
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine (CID 146558380) is trans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine is CCCCc1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1.
What is the InChIKey of trans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The InChIKey is IOZHABZCYXZLPW-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H23N5/c1-2-3-4-12-10-15(19-13-6-5-11(16)9-13)20-14(18-12)7-8-17-20/h7-8,10-11,13,19H,2-6,9,16H2,1H3/t11-,13-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine has a molecular weight of 273.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 146558380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).