3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide

C14H20BrN5O — CID 19564640

IUPAC3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide
SMILESCCn1ncc(CNC(=O)C(C)Cn2cc(Br)cn2)c1C
InChIInChI=1S/C14H20BrN5O/c1-4-20-11(3)12(6-18-20)5-16-14(21)10(2)8-19-9-13(15)7-17-19/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,21)
InChIKeyBWZZQRXZCWFPJQ-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.12
Rot. Bonds6

About 3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide

3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide (PubChem CID 19564640) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide
PubChem CID19564640
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide
SMILESCCn1ncc(CNC(=O)C(C)Cn2cc(Br)cn2)c1C
InChIInChI=1S/C14H20BrN5O/c1-4-20-11(3)12(6-18-20)5-16-14(21)10(2)8-19-9-13(15)7-17-19/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,21)
InChIKeyBWZZQRXZCWFPJQ-UHFFFAOYSA-N
XLogP2.12
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562469
3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide
CID 19564677
3-(4-bromopyrazol-1-yl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19564654
(2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide
CID 39735322
N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide
CID 4773742
2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19537511
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562440
3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide
CID 19564662
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526458
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]butanamide
CID 19290534
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 51391219
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 40648018

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide (CID 19564640) is 3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide is CCn1ncc(CNC(=O)C(C)Cn2cc(Br)cn2)c1C.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide?
The InChIKey is BWZZQRXZCWFPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c1-4-20-11(3)12(6-18-20)5-16-14(21)10(2)8-19-9-13(15)7-17-19/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,21).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide?
3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide has a molecular weight of 354.25 g/mol, XLogP of 2.12, 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-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 19564640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).