(3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide

C13H17N3O2 — CID 92708111

IUPAC(3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide
SMILESC[C@@H](CC(=O)NCCc1ccco1)n1cccn1
InChIInChI=1S/C13H17N3O2/c1-11(16-8-3-6-15-16)10-13(17)14-7-5-12-4-2-9-18-12/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,14,17)/t11-/m0/s1
InChIKeyMVWKMMNDOPRLJA-NSHDSACASA-N
MW247.30 g/mol
LogP1.79
Rot. Bonds6

About (3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide

(3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide (PubChem CID 92708111) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide
PubChem CID92708111
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide
SMILESC[C@@H](CC(=O)NCCc1ccco1)n1cccn1
InChIInChI=1S/C13H17N3O2/c1-11(16-8-3-6-15-16)10-13(17)14-7-5-12-4-2-9-18-12/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,14,17)/t11-/m0/s1
InChIKeyMVWKMMNDOPRLJA-NSHDSACASA-N
XLogP1.79
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide?
The IUPAC name of (3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide (CID 92708111) is (3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide.
What is the SMILES notation for (3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide?
The canonical SMILES for (3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide is C[C@@H](CC(=O)NCCc1ccco1)n1cccn1.
What is the InChIKey of (3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide?
The InChIKey is MVWKMMNDOPRLJA-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3O2/c1-11(16-8-3-6-15-16)10-13(17)14-7-5-12-4-2-9-18-12/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,14,17)/t11-/m0/s1.
What are the key properties of (3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide?
(3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide has a molecular weight of 247.30 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide is sourced from PubChem (CID 92708111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).