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

C17H20ClFN4O — CID 59173983

IUPACN-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2ccc(F)cc2Cl)[nH]n1
InChIInChI=1S/C17H20ClFN4O/c18-14-10-12(19)5-6-13(14)15-11-16(22-21-15)20-17(24)4-3-9-23-7-1-2-8-23/h5-6,10-11H,1-4,7-9H2,(H2,20,21,22,24)
InChIKeyDCFYTPZXWJUSLU-UHFFFAOYSA-N
MW350.82 g/mol
LogP3.68
Rot. Bonds6

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

N-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (PubChem CID 59173983) has the molecular formula C17H20ClFN4O and a molecular weight of 350.82 g/mol. Its IUPAC name is N-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
PubChem CID59173983
Molecular FormulaC17H20ClFN4O
Molecular Weight350.82 g/mol
Exact Mass350.13
IUPAC NameN-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2ccc(F)cc2Cl)[nH]n1
InChIInChI=1S/C17H20ClFN4O/c18-14-10-12(19)5-6-13(14)15-11-16(22-21-15)20-17(24)4-3-9-23-7-1-2-8-23/h5-6,10-11H,1-4,7-9H2,(H2,20,21,22,24)
InChIKeyDCFYTPZXWJUSLU-UHFFFAOYSA-N
XLogP3.68
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (CID 59173983) is N-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is O=C(CCCN1CCCC1)Nc1cc(-c2ccc(F)cc2Cl)[nH]n1.
What is the InChIKey of N-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The InChIKey is DCFYTPZXWJUSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4O/c18-14-10-12(19)5-6-13(14)15-11-16(22-21-15)20-17(24)4-3-9-23-7-1-2-8-23/h5-6,10-11H,1-4,7-9H2,(H2,20,21,22,24).
What are the key properties of N-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
N-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide has a molecular weight of 350.82 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 59173983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).