1-(2-pyrazol-1-ylbutanoylamino)cyclopentane-1-carboxamide

C13H20N4O2 — CID 72860904

IUPAC1-(2-pyrazol-1-ylbutanoylamino)cyclopentane-1-carboxamide
SMILESCCC(C(=O)NC1(C(N)=O)CCCC1)n1cccn1
InChIInChI=1S/C13H20N4O2/c1-2-10(17-9-5-8-15-17)11(18)16-13(12(14)19)6-3-4-7-13/h5,8-10H,2-4,6-7H2,1H3,(H2,14,19)(H,16,18)
InChIKeyDASUGEKUWGUBNE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.75
Rot. Bonds5

About 1-(2-pyrazol-1-ylbutanoylamino)cyclopentane-1-carboxamide

1-(2-pyrazol-1-ylbutanoylamino)cyclopentane-1-carboxamide (PubChem CID 72860904) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylbutanoylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylbutanoylamino)cyclopentane-1-carboxamide
PubChem CID72860904
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(2-pyrazol-1-ylbutanoylamino)cyclopentane-1-carboxamide
SMILESCCC(C(=O)NC1(C(N)=O)CCCC1)n1cccn1
InChIInChI=1S/C13H20N4O2/c1-2-10(17-9-5-8-15-17)11(18)16-13(12(14)19)6-3-4-7-13/h5,8-10H,2-4,6-7H2,1H3,(H2,14,19)(H,16,18)
InChIKeyDASUGEKUWGUBNE-UHFFFAOYSA-N
XLogP0.75
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylbutanoylamino)cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-pyrazol-1-ylbutanoylamino)cyclopentane-1-carboxamide (CID 72860904) is 1-(2-pyrazol-1-ylbutanoylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-pyrazol-1-ylbutanoylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-pyrazol-1-ylbutanoylamino)cyclopentane-1-carboxamide is CCC(C(=O)NC1(C(N)=O)CCCC1)n1cccn1.
What is the InChIKey of 1-(2-pyrazol-1-ylbutanoylamino)cyclopentane-1-carboxamide?
The InChIKey is DASUGEKUWGUBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-10(17-9-5-8-15-17)11(18)16-13(12(14)19)6-3-4-7-13/h5,8-10H,2-4,6-7H2,1H3,(H2,14,19)(H,16,18).
What are the key properties of 1-(2-pyrazol-1-ylbutanoylamino)cyclopentane-1-carboxamide?
1-(2-pyrazol-1-ylbutanoylamino)cyclopentane-1-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylbutanoylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 72860904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).