1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine

C14H25N3 — CID 62730242

IUPAC1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C2CCCC2)c1C
InChIInChI=1S/C14H25N3/c1-4-12(15)9-14-10(2)16-17(11(14)3)13-7-5-6-8-13/h12-13H,4-9,15H2,1-3H3
InChIKeyPELBGCIMYWNBFQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.89
Rot. Bonds4

About 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine

1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine (PubChem CID 62730242) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine
PubChem CID62730242
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C2CCCC2)c1C
InChIInChI=1S/C14H25N3/c1-4-12(15)9-14-10(2)16-17(11(14)3)13-7-5-6-8-13/h12-13H,4-9,15H2,1-3H3
InChIKeyPELBGCIMYWNBFQ-UHFFFAOYSA-N
XLogP2.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine?
The IUPAC name of 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine (CID 62730242) is 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine is CCC(N)Cc1c(C)nn(C2CCCC2)c1C.
What is the InChIKey of 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine?
The InChIKey is PELBGCIMYWNBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-12(15)9-14-10(2)16-17(11(14)3)13-7-5-6-8-13/h12-13H,4-9,15H2,1-3H3.
What are the key properties of 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine?
1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 62730242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).