1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine

C14H25N3 — CID 80705915

IUPAC1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCCn1nc(C)cc1CC1(N)CCC(C)(C)C1
InChIInChI=1S/C14H25N3/c1-5-17-12(8-11(2)16-17)9-14(15)7-6-13(3,4)10-14/h8H,5-7,9-10,15H2,1-4H3
InChIKeyVSWCNHZTHOJWJI-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.66
Rot. Bonds3

About 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine

1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 80705915) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID80705915
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCCn1nc(C)cc1CC1(N)CCC(C)(C)C1
InChIInChI=1S/C14H25N3/c1-5-17-12(8-11(2)16-17)9-14(15)7-6-13(3,4)10-14/h8H,5-7,9-10,15H2,1-4H3
InChIKeyVSWCNHZTHOJWJI-UHFFFAOYSA-N
XLogP2.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine (CID 80705915) is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine is CCn1nc(C)cc1CC1(N)CCC(C)(C)C1.
What is the InChIKey of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is VSWCNHZTHOJWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-17-12(8-11(2)16-17)9-14(15)7-6-13(3,4)10-14/h8H,5-7,9-10,15H2,1-4H3.
What are the key properties of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80705915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).