2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide

C12H16BrN5O — CID 19537511

IUPAC2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1c(CNC(=O)C(C)n2cc(Br)cn2)cnn1C
InChIInChI=1S/C12H16BrN5O/c1-8-10(5-15-17(8)3)4-14-12(19)9(2)18-7-11(13)6-16-18/h5-7,9H,4H2,1-3H3,(H,14,19)
InChIKeySUANCABXVLSSGP-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.56
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide

2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide (PubChem CID 19537511) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
PubChem CID19537511
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1c(CNC(=O)C(C)n2cc(Br)cn2)cnn1C
InChIInChI=1S/C12H16BrN5O/c1-8-10(5-15-17(8)3)4-14-12(19)9(2)18-7-11(13)6-16-18/h5-7,9H,4H2,1-3H3,(H,14,19)
InChIKeySUANCABXVLSSGP-UHFFFAOYSA-N
XLogP1.56
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536899
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide
CID 106047225
2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide
CID 56725410
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 103861005
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106040607
3-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19561684
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide
CID 124845276
(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
CID 7026116
2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
CID 61029814
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)propanamide
CID 19537675
(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913
2-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 106035313

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide (CID 19537511) is 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide is Cc1c(CNC(=O)C(C)n2cc(Br)cn2)cnn1C.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is SUANCABXVLSSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-8-10(5-15-17(8)3)4-14-12(19)9(2)18-7-11(13)6-16-18/h5-7,9H,4H2,1-3H3,(H,14,19).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide?
2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 326.20 g/mol, XLogP of 1.56, 4 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-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 19537511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).