3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

C16H16BrN5O — CID 19561765

IUPAC3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCn1cc(Br)cn1)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C16H16BrN5O/c17-14-10-19-22(12-14)8-5-16(23)20-15-4-1-3-13(9-15)11-21-7-2-6-18-21/h1-4,6-7,9-10,12H,5,8,11H2,(H,20,23)
InChIKeyTVPMRTUEFDMGQS-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.92
Rot. Bonds6

About 3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 19561765) has the molecular formula C16H16BrN5O and a molecular weight of 374.24 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID19561765
Molecular FormulaC16H16BrN5O
Molecular Weight374.24 g/mol
Exact Mass373.05
IUPAC Name3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCn1cc(Br)cn1)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C16H16BrN5O/c17-14-10-19-22(12-14)8-5-16(23)20-15-4-1-3-13(9-15)11-21-7-2-6-18-21/h1-4,6-7,9-10,12H,5,8,11H2,(H,20,23)
InChIKeyTVPMRTUEFDMGQS-UHFFFAOYSA-N
XLogP2.92
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19483026
4-bromo-N-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]benzamide
CID 55612876
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46339350
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111104607
3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561665
3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 55610931
3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 87042762
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide
CID 71916687
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19506868
3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19411510

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 19561765) is 3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide is O=C(CCn1cc(Br)cn1)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is TVPMRTUEFDMGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O/c17-14-10-19-22(12-14)8-5-16(23)20-15-4-1-3-13(9-15)11-21-7-2-6-18-21/h1-4,6-7,9-10,12H,5,8,11H2,(H,20,23).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 374.24 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 19561765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).