N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide

C18H23ClN4O — CID 59173911

IUPACN-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide
SMILESCC(CCC(=O)Nc1cc(-c2ccccc2Cl)[nH]n1)N1CCCC1
InChIInChI=1S/C18H23ClN4O/c1-13(23-10-4-5-11-23)8-9-18(24)20-17-12-16(21-22-17)14-6-2-3-7-15(14)19/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H2,20,21,22,24)
InChIKeyTWRKQVKKIZKOLA-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.93
Rot. Bonds6

About N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide

N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide (PubChem CID 59173911) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide
PubChem CID59173911
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide
SMILESCC(CCC(=O)Nc1cc(-c2ccccc2Cl)[nH]n1)N1CCCC1
InChIInChI=1S/C18H23ClN4O/c1-13(23-10-4-5-11-23)8-9-18(24)20-17-12-16(21-22-17)14-6-2-3-7-15(14)19/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H2,20,21,22,24)
InChIKeyTWRKQVKKIZKOLA-UHFFFAOYSA-N
XLogP3.93
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide (CID 59173911) is N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide is CC(CCC(=O)Nc1cc(-c2ccccc2Cl)[nH]n1)N1CCCC1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide?
The InChIKey is TWRKQVKKIZKOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-13(23-10-4-5-11-23)8-9-18(24)20-17-12-16(21-22-17)14-6-2-3-7-15(14)19/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H2,20,21,22,24).
What are the key properties of N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide?
N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide has a molecular weight of 346.86 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide is sourced from PubChem (CID 59173911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).