methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate

C14H18BrN5O3 — CID 19566285

IUPACmethyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)C(C)Cn2cc(Br)cn2)c(C(=O)OC)n1
InChIInChI=1S/C14H18BrN5O3/c1-4-19-8-11(12(18-19)14(22)23-3)17-13(21)9(2)6-20-7-10(15)5-16-20/h5,7-9H,4,6H2,1-3H3,(H,17,21)
InChIKeyQVSBHOMKKRKFQP-UHFFFAOYSA-N
MW384.23 g/mol
LogP1.92
Rot. Bonds6

About methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate

methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate (PubChem CID 19566285) has the molecular formula C14H18BrN5O3 and a molecular weight of 384.23 g/mol. Its IUPAC name is methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate
PubChem CID19566285
Molecular FormulaC14H18BrN5O3
Molecular Weight384.23 g/mol
Exact Mass383.06
IUPAC Namemethyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)C(C)Cn2cc(Br)cn2)c(C(=O)OC)n1
InChIInChI=1S/C14H18BrN5O3/c1-4-19-8-11(12(18-19)14(22)23-3)17-13(21)9(2)6-20-7-10(15)5-16-20/h5,7-9H,4,6H2,1-3H3,(H,17,21)
InChIKeyQVSBHOMKKRKFQP-UHFFFAOYSA-N
XLogP1.92
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 40648018
3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide
CID 19564677
methyl 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 4863063
(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
3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
CID 19566261
(2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 35529843
methyl 4-[[2-(4-bromo-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19517919
3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
CID 19564609
methyl 1-ethyl-4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate
CID 19516093
3-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4-chlorobenzoic acid
CID 4867417
4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19551483

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate (CID 19566285) is methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate is CCn1cc(NC(=O)C(C)Cn2cc(Br)cn2)c(C(=O)OC)n1.
What is the InChIKey of methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate?
The InChIKey is QVSBHOMKKRKFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O3/c1-4-19-8-11(12(18-19)14(22)23-3)17-13(21)9(2)6-20-7-10(15)5-16-20/h5,7-9H,4,6H2,1-3H3,(H,17,21).
What are the key properties of methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate?
methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate has a molecular weight of 384.23 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate is sourced from PubChem (CID 19566285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).