(2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide

C17H23N3O2 — CID 97314450

IUPAC(2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide
SMILESCc1cc(C)n([C@@H](C)C(=O)N(C2CC2)[C@@H](C)c2ccco2)n1
InChIInChI=1S/C17H23N3O2/c1-11-10-12(2)20(18-11)14(4)17(21)19(15-7-8-15)13(3)16-6-5-9-22-16/h5-6,9-10,13-15H,7-8H2,1-4H3/t13-,14-/m0/s1
InChIKeyHBKHADMPBPFLRD-KBPBESRZSA-N
MW301.39 g/mol
LogP3.41
Rot. Bonds5

About (2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide

(2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide (PubChem CID 97314450) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide
PubChem CID97314450
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide
SMILESCc1cc(C)n([C@@H](C)C(=O)N(C2CC2)[C@@H](C)c2ccco2)n1
InChIInChI=1S/C17H23N3O2/c1-11-10-12(2)20(18-11)14(4)17(21)19(15-7-8-15)13(3)16-6-5-9-22-16/h5-6,9-10,13-15H,7-8H2,1-4H3/t13-,14-/m0/s1
InChIKeyHBKHADMPBPFLRD-KBPBESRZSA-N
XLogP3.41
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide (CID 97314450) is (2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide is Cc1cc(C)n([C@@H](C)C(=O)N(C2CC2)[C@@H](C)c2ccco2)n1.
What is the InChIKey of (2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide?
The InChIKey is HBKHADMPBPFLRD-KBPBESRZSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-10-12(2)20(18-11)14(4)17(21)19(15-7-8-15)13(3)16-6-5-9-22-16/h5-6,9-10,13-15H,7-8H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide?
(2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide has a molecular weight of 301.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide is sourced from PubChem (CID 97314450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).