N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide

C13H17BrN6O2 — CID 4773742

IUPACN'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide
SMILESCCn1cc(C(=O)NNC(=O)C(C)Cn2cc(Br)cn2)cn1
InChIInChI=1S/C13H17BrN6O2/c1-3-19-7-10(4-15-19)13(22)18-17-12(21)9(2)6-20-8-11(14)5-16-20/h4-5,7-9H,3,6H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyTWWHHOYNNOOYRW-UHFFFAOYSA-N
MW369.22 g/mol
LogP0.96
Rot. Bonds5

About N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide

N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide (PubChem CID 4773742) has the molecular formula C13H17BrN6O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide
PubChem CID4773742
Molecular FormulaC13H17BrN6O2
Molecular Weight369.22 g/mol
Exact Mass368.06
IUPAC NameN'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide
SMILESCCn1cc(C(=O)NNC(=O)C(C)Cn2cc(Br)cn2)cn1
InChIInChI=1S/C13H17BrN6O2/c1-3-19-7-10(4-15-19)13(22)18-17-12(21)9(2)6-20-8-11(14)5-16-20/h4-5,7-9H,3,6H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyTWWHHOYNNOOYRW-UHFFFAOYSA-N
XLogP0.96
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide
CID 19564677
(2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide
CID 39735322
3-(4-bromopyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 19564640
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide
CID 19564662
methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19566285
3-(4-bromopyrazol-1-yl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19564654
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 51391219
3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
CID 19566261
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 40648018
1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460800
3-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4-chlorobenzoic acid
CID 4867417

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide (CID 4773742) is N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide is CCn1cc(C(=O)NNC(=O)C(C)Cn2cc(Br)cn2)cn1.
What is the InChIKey of N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide?
The InChIKey is TWWHHOYNNOOYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN6O2/c1-3-19-7-10(4-15-19)13(22)18-17-12(21)9(2)6-20-8-11(14)5-16-20/h4-5,7-9H,3,6H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide?
N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide has a molecular weight of 369.22 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide is sourced from PubChem (CID 4773742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).