N-[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpiperidin-1-yl)butanamide

C20H26F2N4O2 — CID 59173787

IUPACN-[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpiperidin-1-yl)butanamide
SMILESCC1CCCCN1CCCC(=O)Nc1cc(-c2ccc(OC(F)F)cc2)[nH]n1
InChIInChI=1S/C20H26F2N4O2/c1-14-5-2-3-11-26(14)12-4-6-19(27)23-18-13-17(24-25-18)15-7-9-16(10-8-15)28-20(21)22/h7-10,13-14,20H,2-6,11-12H2,1H3,(H2,23,24,25,27)
InChIKeyZURQVWJLATWREQ-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.27
Rot. Bonds8

About N-[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpiperidin-1-yl)butanamide

N-[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpiperidin-1-yl)butanamide (PubChem CID 59173787) has the molecular formula C20H26F2N4O2 and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpiperidin-1-yl)butanamide
PubChem CID59173787
Molecular FormulaC20H26F2N4O2
Molecular Weight392.45 g/mol
Exact Mass392.20
IUPAC NameN-[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpiperidin-1-yl)butanamide
SMILESCC1CCCCN1CCCC(=O)Nc1cc(-c2ccc(OC(F)F)cc2)[nH]n1
InChIInChI=1S/C20H26F2N4O2/c1-14-5-2-3-11-26(14)12-4-6-19(27)23-18-13-17(24-25-18)15-7-9-16(10-8-15)28-20(21)22/h7-10,13-14,20H,2-6,11-12H2,1H3,(H2,23,24,25,27)
InChIKeyZURQVWJLATWREQ-UHFFFAOYSA-N
XLogP4.27
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpiperidin-1-yl)butanamide?
The IUPAC name of N-[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpiperidin-1-yl)butanamide (CID 59173787) is N-[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpiperidin-1-yl)butanamide.
What is the SMILES notation for N-[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpiperidin-1-yl)butanamide?
The canonical SMILES for N-[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpiperidin-1-yl)butanamide is CC1CCCCN1CCCC(=O)Nc1cc(-c2ccc(OC(F)F)cc2)[nH]n1.
What is the InChIKey of N-[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpiperidin-1-yl)butanamide?
The InChIKey is ZURQVWJLATWREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O2/c1-14-5-2-3-11-26(14)12-4-6-19(27)23-18-13-17(24-25-18)15-7-9-16(10-8-15)28-20(21)22/h7-10,13-14,20H,2-6,11-12H2,1H3,(H2,23,24,25,27).
What are the key properties of N-[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpiperidin-1-yl)butanamide?
N-[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpiperidin-1-yl)butanamide has a molecular weight of 392.45 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpiperidin-1-yl)butanamide is sourced from PubChem (CID 59173787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).