N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide

C17H18F2N4O2 — CID 90932431

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide
SMILESCC(NC(=O)Cc1ccc(F)c(F)c1)C(=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H18F2N4O2/c1-9(17(25)21-15-8-14(22-23-15)11-3-4-11)20-16(24)7-10-2-5-12(18)13(19)6-10/h2,5-6,8-9,11H,3-4,7H2,1H3,(H,20,24)(H2,21,22,23,25)
InChIKeyAUWGBRWJTYKMIC-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.25
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide (PubChem CID 90932431) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide
PubChem CID90932431
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide
SMILESCC(NC(=O)Cc1ccc(F)c(F)c1)C(=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H18F2N4O2/c1-9(17(25)21-15-8-14(22-23-15)11-3-4-11)20-16(24)7-10-2-5-12(18)13(19)6-10/h2,5-6,8-9,11H,3-4,7H2,1H3,(H,20,24)(H2,21,22,23,25)
InChIKeyAUWGBRWJTYKMIC-UHFFFAOYSA-N
XLogP2.25
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide (CID 90932431) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide is CC(NC(=O)Cc1ccc(F)c(F)c1)C(=O)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide?
The InChIKey is AUWGBRWJTYKMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-9(17(25)21-15-8-14(22-23-15)11-3-4-11)20-16(24)7-10-2-5-12(18)13(19)6-10/h2,5-6,8-9,11H,3-4,7H2,1H3,(H,20,24)(H2,21,22,23,25).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide has a molecular weight of 348.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide is sourced from PubChem (CID 90932431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).