trans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine

C16H25N5 — CID 102738846

IUPACtrans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine
SMILESCC(C)(C)c1cc2c(N[C@@H]3CCCC[C@H]3N)nccn2n1
InChIInChI=1S/C16H25N5/c1-16(2,3)14-10-13-15(18-8-9-21(13)20-14)19-12-7-5-4-6-11(12)17/h8-12H,4-7,17H2,1-3H3,(H,18,19)/t11-,12-/m1/s1
InChIKeyLYHZYYXYFVTYCK-VXGBXAGGSA-N
MW287.41 g/mol
LogP2.71
Rot. Bonds2

About trans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine

trans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine (PubChem CID 102738846) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine
PubChem CID102738846
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Nametrans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine
SMILESCC(C)(C)c1cc2c(N[C@@H]3CCCC[C@H]3N)nccn2n1
InChIInChI=1S/C16H25N5/c1-16(2,3)14-10-13-15(18-8-9-21(13)20-14)19-12-7-5-4-6-11(12)17/h8-12H,4-7,17H2,1-3H3,(H,18,19)/t11-,12-/m1/s1
InChIKeyLYHZYYXYFVTYCK-VXGBXAGGSA-N
XLogP2.71
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine (CID 102738846) is trans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine is CC(C)(C)c1cc2c(N[C@@H]3CCCC[C@H]3N)nccn2n1.
What is the InChIKey of trans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine?
The InChIKey is LYHZYYXYFVTYCK-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H25N5/c1-16(2,3)14-10-13-15(18-8-9-21(13)20-14)19-12-7-5-4-6-11(12)17/h8-12H,4-7,17H2,1-3H3,(H,18,19)/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine has a molecular weight of 287.41 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 102738846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).