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

C14H21N5 — CID 56915928

IUPACtrans-(1R,3R)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
SMILESCCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1
InChIInChI=1S/C14H21N5/c1-2-3-11-9-14(18-12-5-4-10(15)8-12)19-13(17-11)6-7-16-19/h6-7,9-10,12,18H,2-5,8,15H2,1H3/t10-,12-/m1/s1
InChIKeyJTBZUSIDMCXPIU-ZYHUDNBSSA-N
MW259.36 g/mol
LogP1.97
Rot. Bonds4

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

trans-(1R,3R)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine (PubChem CID 56915928) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is trans-(1R,3R)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
PubChem CID56915928
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Nametrans-(1R,3R)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
SMILESCCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1
InChIInChI=1S/C14H21N5/c1-2-3-11-9-14(18-12-5-4-10(15)8-12)19-13(17-11)6-7-16-19/h6-7,9-10,12,18H,2-5,8,15H2,1H3/t10-,12-/m1/s1
InChIKeyJTBZUSIDMCXPIU-ZYHUDNBSSA-N
XLogP1.97
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The IUPAC name of trans-(1R,3R)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine (CID 56915928) is trans-(1R,3R)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1R,3R)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1R,3R)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine is CCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1.
What is the InChIKey of trans-(1R,3R)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The InChIKey is JTBZUSIDMCXPIU-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-3-11-9-14(18-12-5-4-10(15)8-12)19-13(17-11)6-7-16-19/h6-7,9-10,12,18H,2-5,8,15H2,1H3/t10-,12-/m1/s1.
What are the key properties of trans-(1R,3R)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
trans-(1R,3R)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine has a molecular weight of 259.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 56915928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).