2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol

C14H25N3O — CID 55106070

IUPAC2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESCCCNCc1c(C)nn(C2CCCC2O)c1C
InChIInChI=1S/C14H25N3O/c1-4-8-15-9-12-10(2)16-17(11(12)3)13-6-5-7-14(13)18/h13-15,18H,4-9H2,1-3H3
InChIKeyRVQPDYKRPJADPA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.09
Rot. Bonds5

About 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol

2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol (PubChem CID 55106070) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol
PubChem CID55106070
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESCCCNCc1c(C)nn(C2CCCC2O)c1C
InChIInChI=1S/C14H25N3O/c1-4-8-15-9-12-10(2)16-17(11(12)3)13-6-5-7-14(13)18/h13-15,18H,4-9H2,1-3H3
InChIKeyRVQPDYKRPJADPA-UHFFFAOYSA-N
XLogP2.09
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol?
The IUPAC name of 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol (CID 55106070) is 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol is CCCNCc1c(C)nn(C2CCCC2O)c1C.
What is the InChIKey of 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol?
The InChIKey is RVQPDYKRPJADPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-8-15-9-12-10(2)16-17(11(12)3)13-6-5-7-14(13)18/h13-15,18H,4-9H2,1-3H3.
What are the key properties of 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol?
2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 55106070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).