2-(4-methylpyrazol-1-yl)cycloheptan-1-amine

C11H19N3 — CID 60873668

IUPAC2-(4-methylpyrazol-1-yl)cycloheptan-1-amine
SMILESCc1cnn(C2CCCCCC2N)c1
InChIInChI=1S/C11H19N3/c1-9-7-13-14(8-9)11-6-4-2-3-5-10(11)12/h7-8,10-11H,2-6,12H2,1H3
InChIKeyDWXMJNIEOYGNTJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.02
Rot. Bonds1

About 2-(4-methylpyrazol-1-yl)cycloheptan-1-amine

2-(4-methylpyrazol-1-yl)cycloheptan-1-amine (PubChem CID 60873668) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)cycloheptan-1-amine
PubChem CID60873668
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-(4-methylpyrazol-1-yl)cycloheptan-1-amine
SMILESCc1cnn(C2CCCCCC2N)c1
InChIInChI=1S/C11H19N3/c1-9-7-13-14(8-9)11-6-4-2-3-5-10(11)12/h7-8,10-11H,2-6,12H2,1H3
InChIKeyDWXMJNIEOYGNTJ-UHFFFAOYSA-N
XLogP2.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)cycloheptan-1-amine?
The IUPAC name of 2-(4-methylpyrazol-1-yl)cycloheptan-1-amine (CID 60873668) is 2-(4-methylpyrazol-1-yl)cycloheptan-1-amine.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)cycloheptan-1-amine?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)cycloheptan-1-amine is Cc1cnn(C2CCCCCC2N)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)cycloheptan-1-amine?
The InChIKey is DWXMJNIEOYGNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-7-13-14(8-9)11-6-4-2-3-5-10(11)12/h7-8,10-11H,2-6,12H2,1H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)cycloheptan-1-amine?
2-(4-methylpyrazol-1-yl)cycloheptan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)cycloheptan-1-amine is sourced from PubChem (CID 60873668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).