N-[1-(methoxymethyl)cyclopentyl]-2-pyrazol-1-ylbutanamide

C14H23N3O2 — CID 72848517

IUPACN-[1-(methoxymethyl)cyclopentyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NC1(COC)CCCC1)n1cccn1
InChIInChI=1S/C14H23N3O2/c1-3-12(17-10-6-9-15-17)13(18)16-14(11-19-2)7-4-5-8-14/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H,16,18)
InChIKeyYZAPCQRAHUGEQR-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.91
Rot. Bonds6

About N-[1-(methoxymethyl)cyclopentyl]-2-pyrazol-1-ylbutanamide

N-[1-(methoxymethyl)cyclopentyl]-2-pyrazol-1-ylbutanamide (PubChem CID 72848517) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[1-(methoxymethyl)cyclopentyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)cyclopentyl]-2-pyrazol-1-ylbutanamide
PubChem CID72848517
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[1-(methoxymethyl)cyclopentyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NC1(COC)CCCC1)n1cccn1
InChIInChI=1S/C14H23N3O2/c1-3-12(17-10-6-9-15-17)13(18)16-14(11-19-2)7-4-5-8-14/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H,16,18)
InChIKeyYZAPCQRAHUGEQR-UHFFFAOYSA-N
XLogP1.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-2-pyrazol-1-ylbutanamide (CID 72848517) is N-[1-(methoxymethyl)cyclopentyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[1-(methoxymethyl)cyclopentyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[1-(methoxymethyl)cyclopentyl]-2-pyrazol-1-ylbutanamide is CCC(C(=O)NC1(COC)CCCC1)n1cccn1.
What is the InChIKey of N-[1-(methoxymethyl)cyclopentyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is YZAPCQRAHUGEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-12(17-10-6-9-15-17)13(18)16-14(11-19-2)7-4-5-8-14/h6,9-10,12H,3-5,7-8,11H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(methoxymethyl)cyclopentyl]-2-pyrazol-1-ylbutanamide?
N-[1-(methoxymethyl)cyclopentyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 265.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)cyclopentyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 72848517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).