2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide

C16H15BrFN5O — CID 19285215

IUPAC2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide
SMILESCC(C(=O)Nc1ccn(Cc2ccc(F)cc2)n1)n1cc(Br)cn1
InChIInChI=1S/C16H15BrFN5O/c1-11(23-10-13(17)8-19-23)16(24)20-15-6-7-22(21-15)9-12-2-4-14(18)5-3-12/h2-8,10-11H,9H2,1H3,(H,20,21,24)
InChIKeyKFNDOSCSXUFIMD-UHFFFAOYSA-N
MW392.23 g/mol
LogP3.23
Rot. Bonds5

About 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide

2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 19285215) has the molecular formula C16H15BrFN5O and a molecular weight of 392.23 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide
PubChem CID19285215
Molecular FormulaC16H15BrFN5O
Molecular Weight392.23 g/mol
Exact Mass391.04
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide
SMILESCC(C(=O)Nc1ccn(Cc2ccc(F)cc2)n1)n1cc(Br)cn1
InChIInChI=1S/C16H15BrFN5O/c1-11(23-10-13(17)8-19-23)16(24)20-15-6-7-22(21-15)9-12-2-4-14(18)5-3-12/h2-8,10-11H,9H2,1H3,(H,20,21,24)
InChIKeyKFNDOSCSXUFIMD-UHFFFAOYSA-N
XLogP3.23
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.23
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide (CID 19285215) is 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide is CC(C(=O)Nc1ccn(Cc2ccc(F)cc2)n1)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide?
The InChIKey is KFNDOSCSXUFIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN5O/c1-11(23-10-13(17)8-19-23)16(24)20-15-6-7-22(21-15)9-12-2-4-14(18)5-3-12/h2-8,10-11H,9H2,1H3,(H,20,21,24).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide?
2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 392.23 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 19285215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).