1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine

C8H12ClN3 — CID 84769917

IUPAC1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine
SMILESNC1(c2cn[nH]c2Cl)CCCC1
InChIInChI=1S/C8H12ClN3/c9-7-6(5-11-12-7)8(10)3-1-2-4-8/h5H,1-4,10H2,(H,11,12)
InChIKeyAECAGEVCTBCSIS-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.79
Rot. Bonds1

About 1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine

1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine (PubChem CID 84769917) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine
PubChem CID84769917
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine
SMILESNC1(c2cn[nH]c2Cl)CCCC1
InChIInChI=1S/C8H12ClN3/c9-7-6(5-11-12-7)8(10)3-1-2-4-8/h5H,1-4,10H2,(H,11,12)
InChIKeyAECAGEVCTBCSIS-UHFFFAOYSA-N
XLogP1.79
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine?
The IUPAC name of 1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine (CID 84769917) is 1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine is NC1(c2cn[nH]c2Cl)CCCC1.
What is the InChIKey of 1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine?
The InChIKey is AECAGEVCTBCSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c9-7-6(5-11-12-7)8(10)3-1-2-4-8/h5H,1-4,10H2,(H,11,12).
What are the key properties of 1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine?
1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine has a molecular weight of 185.66 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine is sourced from PubChem (CID 84769917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).