N-[5-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide

C20H26F2N4O2 — CID 59173757

IUPACN-[5-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESCc1cc(OC(F)F)ccc1-c1cc(NC(=O)CCCN2CCCCC2)n[nH]1
InChIInChI=1S/C20H26F2N4O2/c1-14-12-15(28-20(21)22)7-8-16(14)17-13-18(25-24-17)23-19(27)6-5-11-26-9-3-2-4-10-26/h7-8,12-13,20H,2-6,9-11H2,1H3,(H2,23,24,25,27)
InChIKeyNWIMPLLDQIOZIF-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.19
Rot. Bonds8

About N-[5-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide

N-[5-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (PubChem CID 59173757) has the molecular formula C20H26F2N4O2 and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[5-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
PubChem CID59173757
Molecular FormulaC20H26F2N4O2
Molecular Weight392.45 g/mol
Exact Mass392.20
IUPAC NameN-[5-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESCc1cc(OC(F)F)ccc1-c1cc(NC(=O)CCCN2CCCCC2)n[nH]1
InChIInChI=1S/C20H26F2N4O2/c1-14-12-15(28-20(21)22)7-8-16(14)17-13-18(25-24-17)23-19(27)6-5-11-26-9-3-2-4-10-26/h7-8,12-13,20H,2-6,9-11H2,1H3,(H2,23,24,25,27)
InChIKeyNWIMPLLDQIOZIF-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
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)-2-methylphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[5-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (CID 59173757) is N-[5-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[5-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[5-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is Cc1cc(OC(F)F)ccc1-c1cc(NC(=O)CCCN2CCCCC2)n[nH]1.
What is the InChIKey of N-[5-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The InChIKey is NWIMPLLDQIOZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O2/c1-14-12-15(28-20(21)22)7-8-16(14)17-13-18(25-24-17)23-19(27)6-5-11-26-9-3-2-4-10-26/h7-8,12-13,20H,2-6,9-11H2,1H3,(H2,23,24,25,27).
What are the key properties of N-[5-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
N-[5-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide has a molecular weight of 392.45 g/mol, XLogP of 4.19, 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)-2-methylphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 59173757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).