N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

C14H16F3N3O2 — CID 87044978

IUPACN-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cnn(CCC(=O)N(Cc2ccco2)CC(F)(F)F)c1
InChIInChI=1S/C14H16F3N3O2/c1-11-7-18-20(8-11)5-4-13(21)19(10-14(15,16)17)9-12-3-2-6-22-12/h2-3,6-8H,4-5,9-10H2,1H3
InChIKeyOFZNYFSPNAWXRR-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.77
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 87044978) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID87044978
Molecular FormulaC14H16F3N3O2
Molecular Weight315.29 g/mol
Exact Mass315.12
IUPAC NameN-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cnn(CCC(=O)N(Cc2ccco2)CC(F)(F)F)c1
InChIInChI=1S/C14H16F3N3O2/c1-11-7-18-20(8-11)5-4-13(21)19(10-14(15,16)17)9-12-3-2-6-22-12/h2-3,6-8H,4-5,9-10H2,1H3
InChIKeyOFZNYFSPNAWXRR-UHFFFAOYSA-N
XLogP2.77
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 87045069
N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 134032635
N-(furan-2-ylmethyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 60519726
2-amino-N-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60937580
N-(furan-2-ylmethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60959380
2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61328447
5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625918
N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54877126
N-(furan-2-ylmethyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7594947
5-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 81311914
N-(furan-2-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60528483
N-(furan-2-ylmethyl)-N-methyl-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
CID 95306746

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 87044978) is N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is Cc1cnn(CCC(=O)N(Cc2ccco2)CC(F)(F)F)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OFZNYFSPNAWXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-11-7-18-20(8-11)5-4-13(21)19(10-14(15,16)17)9-12-3-2-6-22-12/h2-3,6-8H,4-5,9-10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 315.29 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 87044978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).