3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide

C16H14BrCl2N5O — CID 19395555

IUPAC3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
SMILESO=C(CCn1cc(Br)cn1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14BrCl2N5O/c17-11-6-20-23(8-11)5-4-16(25)22-12-7-21-24(9-12)10-13-14(18)2-1-3-15(13)19/h1-3,6-9H,4-5,10H2,(H,22,25)
InChIKeyLTUKLZITGURWRW-UHFFFAOYSA-N
MW443.13 g/mol
LogP4.23
Rot. Bonds6

About 3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide

3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide (PubChem CID 19395555) has the molecular formula C16H14BrCl2N5O and a molecular weight of 443.13 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
PubChem CID19395555
Molecular FormulaC16H14BrCl2N5O
Molecular Weight443.13 g/mol
Exact Mass440.98
IUPAC Name3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
SMILESO=C(CCn1cc(Br)cn1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14BrCl2N5O/c17-11-6-20-23(8-11)5-4-16(25)22-12-7-21-24(9-12)10-13-14(18)2-1-3-15(13)19/h1-3,6-9H,4-5,10H2,(H,22,25)
InChIKeyLTUKLZITGURWRW-UHFFFAOYSA-N
XLogP4.23
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.13
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561665
2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395454
4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19395542
N-(3-amino-4-chlorophenyl)-3-(4-bromopyrazol-1-yl)propanamide
CID 54909881
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19395451
1-[3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483009
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19395579
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19395492
3-(4-bromopyrazol-1-yl)-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19561835
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765
3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19561636
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19403924

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide (CID 19395555) is 3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide is O=C(CCn1cc(Br)cn1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide?
The InChIKey is LTUKLZITGURWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2N5O/c17-11-6-20-23(8-11)5-4-16(25)22-12-7-21-24(9-12)10-13-14(18)2-1-3-15(13)19/h1-3,6-9H,4-5,10H2,(H,22,25).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide?
3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide has a molecular weight of 443.13 g/mol, XLogP of 4.23, 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-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 19395555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).