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

C18H22F2N4O2 — CID 59173991

IUPACN-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2ccccc2OC(F)F)[nH]n1
InChIInChI=1S/C18H22F2N4O2/c19-18(20)26-15-7-2-1-6-13(15)14-12-16(23-22-14)21-17(25)8-5-11-24-9-3-4-10-24/h1-2,6-7,12,18H,3-5,8-11H2,(H2,21,22,23,25)
InChIKeyWJLWKMKEJDWUGN-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.49
Rot. Bonds8

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

N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (PubChem CID 59173991) has the molecular formula C18H22F2N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
PubChem CID59173991
Molecular FormulaC18H22F2N4O2
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC NameN-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2ccccc2OC(F)F)[nH]n1
InChIInChI=1S/C18H22F2N4O2/c19-18(20)26-15-7-2-1-6-13(15)14-12-16(23-22-14)21-17(25)8-5-11-24-9-3-4-10-24/h1-2,6-7,12,18H,3-5,8-11H2,(H2,21,22,23,25)
InChIKeyWJLWKMKEJDWUGN-UHFFFAOYSA-N
XLogP3.49
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (CID 59173991) is N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is O=C(CCCN1CCCC1)Nc1cc(-c2ccccc2OC(F)F)[nH]n1.
What is the InChIKey of N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The InChIKey is WJLWKMKEJDWUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2/c19-18(20)26-15-7-2-1-6-13(15)14-12-16(23-22-14)21-17(25)8-5-11-24-9-3-4-10-24/h1-2,6-7,12,18H,3-5,8-11H2,(H2,21,22,23,25).
What are the key properties of N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide has a molecular weight of 364.40 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 59173991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).