cis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine

C14H21N5 — CID 146502786

IUPACcis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
SMILESCC(C)c1cc(N[C@@H]2CC[C@H](N)C2)n2nccc2n1
InChIInChI=1S/C14H21N5/c1-9(2)12-8-14(17-11-4-3-10(15)7-11)19-13(18-12)5-6-16-19/h5-6,8-11,17H,3-4,7,15H2,1-2H3/t10-,11+/m0/s1
InChIKeyCEWWVKCNKXKZPU-WDEREUQCSA-N
MW259.36 g/mol
LogP2.14
Rot. Bonds3

About cis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine

cis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine (PubChem CID 146502786) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is cis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Namecis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
PubChem CID146502786
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Namecis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
SMILESCC(C)c1cc(N[C@@H]2CC[C@H](N)C2)n2nccc2n1
InChIInChI=1S/C14H21N5/c1-9(2)12-8-14(17-11-4-3-10(15)7-11)19-13(18-12)5-6-16-19/h5-6,8-11,17H,3-4,7,15H2,1-2H3/t10-,11+/m0/s1
InChIKeyCEWWVKCNKXKZPU-WDEREUQCSA-N
XLogP2.14
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The IUPAC name of cis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine (CID 146502786) is cis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for cis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The canonical SMILES for cis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine is CC(C)c1cc(N[C@@H]2CC[C@H](N)C2)n2nccc2n1.
What is the InChIKey of cis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The InChIKey is CEWWVKCNKXKZPU-WDEREUQCSA-N. The full InChI is InChI=1S/C14H21N5/c1-9(2)12-8-14(17-11-4-3-10(15)7-11)19-13(18-12)5-6-16-19/h5-6,8-11,17H,3-4,7,15H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
cis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine has a molecular weight of 259.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 146502786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).