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

C17H23N3O2 — CID 97314451

IUPAC(2R)-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-UONOGXRCSA-N
MW301.39 g/mol
LogP3.41
Rot. Bonds5

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

(2R)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide (PubChem CID 97314451) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide
PubChem CID97314451
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2R)-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-UONOGXRCSA-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

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Related Compounds

(2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide
CID 97314450
2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(thian-4-yl)propanamide
CID 91843642
N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide
CID 94642674
2-cyclopentyl-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60576605
1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea
CID 71972779
3-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]propanamide
CID 122265498
5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 122244410
2-[2-[cyclopropyl-[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94642953
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]furan-2-carboxamide
CID 122244387
1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea
CID 97048818
1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea
CID 97048807
(E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 60576849

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide (CID 97314451) is (2R)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide?
The canonical SMILES for (2R)-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 (2R)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide?
The InChIKey is HBKHADMPBPFLRD-UONOGXRCSA-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 (2R)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide?
(2R)-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 (2R)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide is sourced from PubChem (CID 97314451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).