3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine

C14H25N3O — CID 114664731

IUPAC3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine
SMILESCCCn1ncc(OC)c1C1CCC(NC)C1C
InChIInChI=1S/C14H25N3O/c1-5-8-17-14(13(18-4)9-16-17)11-6-7-12(15-3)10(11)2/h9-12,15H,5-8H2,1-4H3
InChIKeyBVLWSUNEENGTCD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.40
Rot. Bonds5

About 3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine

3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine (PubChem CID 114664731) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine
PubChem CID114664731
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine
SMILESCCCn1ncc(OC)c1C1CCC(NC)C1C
InChIInChI=1S/C14H25N3O/c1-5-8-17-14(13(18-4)9-16-17)11-6-7-12(15-3)10(11)2/h9-12,15H,5-8H2,1-4H3
InChIKeyBVLWSUNEENGTCD-UHFFFAOYSA-N
XLogP2.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine (CID 114664731) is 3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine is CCCn1ncc(OC)c1C1CCC(NC)C1C.
What is the InChIKey of 3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine?
The InChIKey is BVLWSUNEENGTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-8-17-14(13(18-4)9-16-17)11-6-7-12(15-3)10(11)2/h9-12,15H,5-8H2,1-4H3.
What are the key properties of 3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine?
3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114664731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).