trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride

C16H28Cl2N6 — CID 126854443

IUPACtrans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCC[C@H]1n1cccn1.N[C@H]1CCC[C@@H]1n1cccn1
InChIInChI=1S/2C8H13N3.2ClH/c2*9-7-3-1-4-8(7)11-6-2-5-10-11;;/h2*2,5-8H,1,3-4,9H2;2*1H/t2*7-,8-;;/m10../s1
InChIKeyJXKKKSUDHNSUKF-VISRLEPBSA-N
MW375.35 g/mol
LogP2.71
Rot. Bonds2

About trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride

trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride (PubChem CID 126854443) has the molecular formula C16H28Cl2N6 and a molecular weight of 375.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride
PubChem CID126854443
Molecular FormulaC16H28Cl2N6
Molecular Weight375.35 g/mol
Exact Mass374.18
IUPAC Nametrans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCC[C@H]1n1cccn1.N[C@H]1CCC[C@@H]1n1cccn1
InChIInChI=1S/2C8H13N3.2ClH/c2*9-7-3-1-4-8(7)11-6-2-5-10-11;;/h2*2,5-8H,1,3-4,9H2;2*1H/t2*7-,8-;;/m10../s1
InChIKeyJXKKKSUDHNSUKF-VISRLEPBSA-N
XLogP2.71
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride?
The IUPAC name of trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride (CID 126854443) is trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride.
What is the SMILES notation for trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride?
The canonical SMILES for trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride is Cl.Cl.N[C@@H]1CCC[C@H]1n1cccn1.N[C@H]1CCC[C@@H]1n1cccn1.
What is the InChIKey of trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride?
The InChIKey is JXKKKSUDHNSUKF-VISRLEPBSA-N. The full InChI is InChI=1S/2C8H13N3.2ClH/c2*9-7-3-1-4-8(7)11-6-2-5-10-11;;/h2*2,5-8H,1,3-4,9H2;2*1H/t2*7-,8-;;/m10../s1.
What are the key properties of trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride?
trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride has a molecular weight of 375.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride is sourced from PubChem (CID 126854443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).