3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide

C12H13BrN4O — CID 1231856

IUPAC3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCn2cc(Br)cn2)c1
InChIInChI=1S/C12H13BrN4O/c1-9-2-4-14-11(6-9)16-12(18)3-5-17-8-10(13)7-15-17/h2,4,6-8H,3,5H2,1H3,(H,14,16,18)
InChIKeyPHTMBZOLABEDFD-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.38
Rot. Bonds4

About 3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide

3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 1231856) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID1231856
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCn2cc(Br)cn2)c1
InChIInChI=1S/C12H13BrN4O/c1-9-2-4-14-11(6-9)16-12(18)3-5-17-8-10(13)7-15-17/h2,4,6-8H,3,5H2,1H3,(H,14,16,18)
InChIKeyPHTMBZOLABEDFD-UHFFFAOYSA-N
XLogP2.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide
CID 35322095
3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561665
3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19561636
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-bromopyrazol-1-yl)propanamide
CID 19394618
3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 19561643
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19411510
3-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19337226
N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 82757585
N-(3-amino-4-chlorophenyl)-3-(4-bromopyrazol-1-yl)propanamide
CID 54909881
N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide
CID 61034761

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide (CID 1231856) is 3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide is Cc1ccnc(NC(=O)CCn2cc(Br)cn2)c1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is PHTMBZOLABEDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-9-2-4-14-11(6-9)16-12(18)3-5-17-8-10(13)7-15-17/h2,4,6-8H,3,5H2,1H3,(H,14,16,18).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide?
3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 309.17 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 1231856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).