(2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid

C17H23N5O4 — CID 166227456

IUPAC(2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid
SMILESCCOc1ccc(-n2ncc(C(=O)N[C@H](CC(C)C)C(=O)O)c2C)nn1
InChIInChI=1S/C17H23N5O4/c1-5-26-15-7-6-14(20-21-15)22-11(4)12(9-18-22)16(23)19-13(17(24)25)8-10(2)3/h6-7,9-10,13H,5,8H2,1-4H3,(H,19,23)(H,24,25)/t13-/m1/s1
InChIKeyKAFIXNNARZTLJZ-CYBMUJFWSA-N
MW361.40 g/mol
LogP1.60
Rot. Bonds8

About (2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid

(2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 166227456) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is (2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid
PubChem CID166227456
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name(2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid
SMILESCCOc1ccc(-n2ncc(C(=O)N[C@H](CC(C)C)C(=O)O)c2C)nn1
InChIInChI=1S/C17H23N5O4/c1-5-26-15-7-6-14(20-21-15)22-11(4)12(9-18-22)16(23)19-13(17(24)25)8-10(2)3/h6-7,9-10,13H,5,8H2,1-4H3,(H,19,23)(H,24,25)/t13-/m1/s1
InChIKeyKAFIXNNARZTLJZ-CYBMUJFWSA-N
XLogP1.60
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid 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

1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
CID 120828707
(2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 28777199
1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide
CID 31358493
(2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 119361432
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxylate
CID 42895441
ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate
CID 108805316
1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide
CID 120887927
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxamide
CID 31308705
1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 37216345
2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108793355
4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 119188230
(2R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364267

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid (CID 166227456) is (2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid is CCOc1ccc(-n2ncc(C(=O)N[C@H](CC(C)C)C(=O)O)c2C)nn1.
What is the InChIKey of (2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is KAFIXNNARZTLJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-5-26-15-7-6-14(20-21-15)22-11(4)12(9-18-22)16(23)19-13(17(24)25)8-10(2)3/h6-7,9-10,13H,5,8H2,1-4H3,(H,19,23)(H,24,25)/t13-/m1/s1.
What are the key properties of (2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid?
(2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 361.40 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 166227456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).