3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide

C11H12BrN5O — CID 35322095

IUPAC3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide
SMILESCc1ccnc(NC(=O)CCn2cc(Br)cn2)n1
InChIInChI=1S/C11H12BrN5O/c1-8-2-4-13-11(15-8)16-10(18)3-5-17-7-9(12)6-14-17/h2,4,6-7H,3,5H2,1H3,(H,13,15,16,18)
InChIKeyWYYCGULOVVXLRI-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.77
Rot. Bonds4

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

3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide (PubChem CID 35322095) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide
PubChem CID35322095
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide
SMILESCc1ccnc(NC(=O)CCn2cc(Br)cn2)n1
InChIInChI=1S/C11H12BrN5O/c1-8-2-4-13-11(15-8)16-10(18)3-5-17-7-9(12)6-14-17/h2,4,6-7H,3,5H2,1H3,(H,13,15,16,18)
InChIKeyWYYCGULOVVXLRI-UHFFFAOYSA-N
XLogP1.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 1231856
3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19561636
3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 19561643
methyl 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748152
3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561665
3-(4-bromopyrazol-1-yl)-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19561835
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
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-bromopyrazol-1-yl)propanamide
CID 19394618
4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide
CID 35522845
3-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19561684
3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 19294580

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide (CID 35322095) is 3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide is Cc1ccnc(NC(=O)CCn2cc(Br)cn2)n1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide?
The InChIKey is WYYCGULOVVXLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c1-8-2-4-13-11(15-8)16-10(18)3-5-17-7-9(12)6-14-17/h2,4,6-7H,3,5H2,1H3,(H,13,15,16,18).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide?
3-(4-bromopyrazol-1-yl)-N-(4-methylpyrimidin-2-yl)propanamide has a molecular weight of 310.16 g/mol, XLogP of 1.77, 4 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-(4-methylpyrimidin-2-yl)propanamide is sourced from PubChem (CID 35322095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).