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

C12H21N3 — CID 116538948

IUPAC3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine
SMILESCCCn1cc(C2(C)CCC(N)C2)cn1
InChIInChI=1S/C12H21N3/c1-3-6-15-9-10(8-14-15)12(2)5-4-11(13)7-12/h8-9,11H,3-7,13H2,1-2H3
InChIKeyBCTOIDXWAROCEU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.06
Rot. Bonds3

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

3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine (PubChem CID 116538948) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine
PubChem CID116538948
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine
SMILESCCCn1cc(C2(C)CCC(N)C2)cn1
InChIInChI=1S/C12H21N3/c1-3-6-15-9-10(8-14-15)12(2)5-4-11(13)7-12/h8-9,11H,3-7,13H2,1-2H3
InChIKeyBCTOIDXWAROCEU-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine?
The IUPAC name of 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine (CID 116538948) is 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine?
The canonical SMILES for 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine is CCCn1cc(C2(C)CCC(N)C2)cn1.
What is the InChIKey of 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine?
The InChIKey is BCTOIDXWAROCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-6-15-9-10(8-14-15)12(2)5-4-11(13)7-12/h8-9,11H,3-7,13H2,1-2H3.
What are the key properties of 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine?
3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine is sourced from PubChem (CID 116538948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).