2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine

C12H21N3 — CID 64908753

IUPAC2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine
SMILESCCCn1cc(C2CCC(N)C2C)cn1
InChIInChI=1S/C12H21N3/c1-3-6-15-8-10(7-14-15)11-4-5-12(13)9(11)2/h7-9,11-12H,3-6,13H2,1-2H3
InChIKeyLOZPLLSRUAAQAR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.13
Rot. Bonds3

About 2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine

2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine (PubChem CID 64908753) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine
PubChem CID64908753
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine
SMILESCCCn1cc(C2CCC(N)C2C)cn1
InChIInChI=1S/C12H21N3/c1-3-6-15-8-10(7-14-15)11-4-5-12(13)9(11)2/h7-9,11-12H,3-6,13H2,1-2H3
InChIKeyLOZPLLSRUAAQAR-UHFFFAOYSA-N
XLogP2.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine?
The IUPAC name of 2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine (CID 64908753) is 2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine?
The canonical SMILES for 2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine is CCCn1cc(C2CCC(N)C2C)cn1.
What is the InChIKey of 2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine?
The InChIKey is LOZPLLSRUAAQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-6-15-8-10(7-14-15)11-4-5-12(13)9(11)2/h7-9,11-12H,3-6,13H2,1-2H3.
What are the key properties of 2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine?
2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine is sourced from PubChem (CID 64908753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).