N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide

C14H14BrClN4O2 — CID 119765390

IUPACN-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)C1CC(O)CN1
InChIInChI=1S/C14H14BrClN4O2/c15-7-1-2-10(16)9(3-7)11-5-13(20-19-11)18-14(22)12-4-8(21)6-17-12/h1-3,5,8,12,17,21H,4,6H2,(H2,18,19,20,22)
InChIKeyFNTLGKOTHJINBM-UHFFFAOYSA-N
MW385.65 g/mol
LogP2.15
Rot. Bonds3

About N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide

N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119765390) has the molecular formula C14H14BrClN4O2 and a molecular weight of 385.65 g/mol. Its IUPAC name is N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119765390
Molecular FormulaC14H14BrClN4O2
Molecular Weight385.65 g/mol
Exact Mass384.00
IUPAC NameN-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)C1CC(O)CN1
InChIInChI=1S/C14H14BrClN4O2/c15-7-1-2-10(16)9(3-7)11-5-13(20-19-11)18-14(22)12-4-8(21)6-17-12/h1-3,5,8,12,17,21H,4,6H2,(H2,18,19,20,22)
InChIKeyFNTLGKOTHJINBM-UHFFFAOYSA-N
XLogP2.15
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.65
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide (CID 119765390) is N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide is O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)C1CC(O)CN1.
What is the InChIKey of N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is FNTLGKOTHJINBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN4O2/c15-7-1-2-10(16)9(3-7)11-5-13(20-19-11)18-14(22)12-4-8(21)6-17-12/h1-3,5,8,12,17,21H,4,6H2,(H2,18,19,20,22).
What are the key properties of N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide?
N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 385.65 g/mol, XLogP of 2.15, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119765390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).