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

C15H13BrFN5O — CID 19285191

IUPAC2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cn1cc(Br)cn1)Nc1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H13BrFN5O/c16-12-7-18-22(9-12)10-15(23)19-14-5-6-21(20-14)8-11-1-3-13(17)4-2-11/h1-7,9H,8,10H2,(H,19,20,23)
InChIKeyGLQRLHRGGMGWIY-UHFFFAOYSA-N
MW378.21 g/mol
LogP2.67
Rot. Bonds5

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

2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 19285191) has the molecular formula C15H13BrFN5O and a molecular weight of 378.21 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID19285191
Molecular FormulaC15H13BrFN5O
Molecular Weight378.21 g/mol
Exact Mass377.03
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cn1cc(Br)cn1)Nc1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H13BrFN5O/c16-12-7-18-22(9-12)10-15(23)19-14-5-6-21(20-14)8-11-1-3-13(17)4-2-11/h1-7,9H,8,10H2,(H,19,20,23)
InChIKeyGLQRLHRGGMGWIY-UHFFFAOYSA-N
XLogP2.67
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19286595
N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide
CID 46994094
1-(4-bromopyrazol-1-yl)-3-(4-fluorophenyl)propan-2-one
CID 54909325
2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19524682
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19284549
N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide
CID 19286317
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526561
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524979
3-(4-bromopyrazol-1-yl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
CID 19566225
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromopyrazol-1-yl)acetamide
CID 19524643
2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 2970557
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide (CID 19285191) is 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide is O=C(Cn1cc(Br)cn1)Nc1ccn(Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is GLQRLHRGGMGWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN5O/c16-12-7-18-22(9-12)10-15(23)19-14-5-6-21(20-14)8-11-1-3-13(17)4-2-11/h1-7,9H,8,10H2,(H,19,20,23).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 378.21 g/mol, XLogP of 2.67, 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]acetamide is sourced from PubChem (CID 19285191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).