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

C19H24F2N4O2 — CID 59173788

IUPACN-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpyrrolidin-1-yl)butanamide
SMILESCC1CCCN1CCCC(=O)Nc1cc(-c2cccc(OC(F)F)c2)[nH]n1
InChIInChI=1S/C19H24F2N4O2/c1-13-5-3-9-25(13)10-4-8-18(26)22-17-12-16(23-24-17)14-6-2-7-15(11-14)27-19(20)21/h2,6-7,11-13,19H,3-5,8-10H2,1H3,(H2,22,23,24,26)
InChIKeyQCZYCKNLKOTIKZ-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.88
Rot. Bonds8

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

N-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpyrrolidin-1-yl)butanamide (PubChem CID 59173788) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is N-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpyrrolidin-1-yl)butanamide
PubChem CID59173788
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC NameN-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpyrrolidin-1-yl)butanamide
SMILESCC1CCCN1CCCC(=O)Nc1cc(-c2cccc(OC(F)F)c2)[nH]n1
InChIInChI=1S/C19H24F2N4O2/c1-13-5-3-9-25(13)10-4-8-18(26)22-17-12-16(23-24-17)14-6-2-7-15(11-14)27-19(20)21/h2,6-7,11-13,19H,3-5,8-10H2,1H3,(H2,22,23,24,26)
InChIKeyQCZYCKNLKOTIKZ-UHFFFAOYSA-N
XLogP3.88
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpyrrolidin-1-yl)butanamide?
The IUPAC name of N-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpyrrolidin-1-yl)butanamide (CID 59173788) is N-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpyrrolidin-1-yl)butanamide is CC1CCCN1CCCC(=O)Nc1cc(-c2cccc(OC(F)F)c2)[nH]n1.
What is the InChIKey of N-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpyrrolidin-1-yl)butanamide?
The InChIKey is QCZYCKNLKOTIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c1-13-5-3-9-25(13)10-4-8-18(26)22-17-12-16(23-24-17)14-6-2-7-15(11-14)27-19(20)21/h2,6-7,11-13,19H,3-5,8-10H2,1H3,(H2,22,23,24,26).
What are the key properties of N-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpyrrolidin-1-yl)butanamide?
N-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpyrrolidin-1-yl)butanamide has a molecular weight of 378.42 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-(2-methylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 59173788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).