3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide

C15H21N3O3 — CID 111482785

IUPAC3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
SMILESCc1nn(C)cc1CCC(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C15H21N3O3/c1-11-12(9-18(3)17-11)6-7-14(19)16-10-15(2,20)13-5-4-8-21-13/h4-5,8-9,20H,6-7,10H2,1-3H3,(H,16,19)
InChIKeyLRHLOSNMSWYQHZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.28
Rot. Bonds6

About 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide

3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide (PubChem CID 111482785) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
PubChem CID111482785
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
SMILESCc1nn(C)cc1CCC(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C15H21N3O3/c1-11-12(9-18(3)17-11)6-7-14(19)16-10-15(2,20)13-5-4-8-21-13/h4-5,8-9,20H,6-7,10H2,1-3H3,(H,16,19)
InChIKeyLRHLOSNMSWYQHZ-UHFFFAOYSA-N
XLogP1.28
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111481891
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111482319
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100701375
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 111482780
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1-methylindol-3-yl)acetamide
CID 111482750
4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide
CID 109379769
2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylphenoxy)acetamide
CID 121085820
4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide
CID 111482727
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 111481890
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide (CID 111482785) is 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide is Cc1nn(C)cc1CCC(=O)NCC(C)(O)c1ccco1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide?
The InChIKey is LRHLOSNMSWYQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-12(9-18(3)17-11)6-7-14(19)16-10-15(2,20)13-5-4-8-21-13/h4-5,8-9,20H,6-7,10H2,1-3H3,(H,16,19).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide?
3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide has a molecular weight of 291.35 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide is sourced from PubChem (CID 111482785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).