2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide

C18H16F2N4O3 — CID 10407038

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide
SMILESCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C18H16F2N4O3/c1-10(21-17(25)7-11-5-12(19)8-13(20)6-11)18(26)22-16-9-14(23-24-16)15-3-2-4-27-15/h2-6,8-10H,7H2,1H3,(H,21,25)(H2,22,23,24,26)
InChIKeyWIMRMJXBXCPGLR-UHFFFAOYSA-N
MW374.35 g/mol
LogP2.63
Rot. Bonds6

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide (PubChem CID 10407038) has the molecular formula C18H16F2N4O3 and a molecular weight of 374.35 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide
PubChem CID10407038
Molecular FormulaC18H16F2N4O3
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide
SMILESCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C18H16F2N4O3/c1-10(21-17(25)7-11-5-12(19)8-13(20)6-11)18(26)22-16-9-14(23-24-16)15-3-2-4-27-15/h2-6,8-10H,7H2,1H3,(H,21,25)(H2,22,23,24,26)
InChIKeyWIMRMJXBXCPGLR-UHFFFAOYSA-N
XLogP2.63
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide (CID 10407038) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide is CC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide?
The InChIKey is WIMRMJXBXCPGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3/c1-10(21-17(25)7-11-5-12(19)8-13(20)6-11)18(26)22-16-9-14(23-24-16)15-3-2-4-27-15/h2-6,8-10H,7H2,1H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide has a molecular weight of 374.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 10407038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).