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

C20H20F2N4O3 — CID 10250509

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C20H20F2N4O3/c1-2-4-15(23-19(27)9-12-7-13(21)10-14(22)8-12)20(28)24-18-11-16(25-26-18)17-5-3-6-29-17/h3,5-8,10-11,15H,2,4,9H2,1H3,(H,23,27)(H2,24,25,26,28)
InChIKeyPBNOWYOZRBMUNJ-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.41
Rot. Bonds8

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

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide (PubChem CID 10250509) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide
PubChem CID10250509
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C20H20F2N4O3/c1-2-4-15(23-19(27)9-12-7-13(21)10-14(22)8-12)20(28)24-18-11-16(25-26-18)17-5-3-6-29-17/h3,5-8,10-11,15H,2,4,9H2,1H3,(H,23,27)(H2,24,25,26,28)
InChIKeyPBNOWYOZRBMUNJ-UHFFFAOYSA-N
XLogP3.41
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.41
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]pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide (CID 10250509) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide is CCCC(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]pentanamide?
The InChIKey is PBNOWYOZRBMUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c1-2-4-15(23-19(27)9-12-7-13(21)10-14(22)8-12)20(28)24-18-11-16(25-26-18)17-5-3-6-29-17/h3,5-8,10-11,15H,2,4,9H2,1H3,(H,23,27)(H2,24,25,26,28).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide has a molecular weight of 402.40 g/mol, XLogP of 3.41, 8 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]pentanamide is sourced from PubChem (CID 10250509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).