[(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea

C14H24N6O3 — CID 7613436

IUPAC[(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
SMILESCC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C14H24N6O3/c1-5-8(2)12(16-14(15)23)13(22)18-17-11(21)7-20-10(4)6-9(3)19-20/h6,8,12H,5,7H2,1-4H3,(H,17,21)(H,18,22)(H3,15,16,23)/t8-,12-/m0/s1
InChIKeyZZZCRFXAVCGOLQ-UFBFGSQYSA-N
MW324.39 g/mol
LogP-0.27
Rot. Bonds6

About [(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea

[(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea (PubChem CID 7613436) has the molecular formula C14H24N6O3 and a molecular weight of 324.39 g/mol. Its IUPAC name is [(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name[(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
PubChem CID7613436
Molecular FormulaC14H24N6O3
Molecular Weight324.39 g/mol
Exact Mass324.19
IUPAC Name[(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
SMILESCC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C14H24N6O3/c1-5-8(2)12(16-14(15)23)13(22)18-17-11(21)7-20-10(4)6-9(3)19-20/h6,8,12H,5,7H2,1-4H3,(H,17,21)(H,18,22)(H3,15,16,23)/t8-,12-/m0/s1
InChIKeyZZZCRFXAVCGOLQ-UFBFGSQYSA-N
XLogP-0.27
TPSA131.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea 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-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18161608
1-[1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
CID 46643358
N-[(2S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 7613435
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
(2R)-2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 79011206
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 43648199
(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
CID 9428621
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]butanoic acid
CID 43648238
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea
CID 4290547
[1-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 42905279
N-(2-aminopropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63733136

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea?
The IUPAC name of [(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea (CID 7613436) is [(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea.
What is the SMILES notation for [(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea?
The canonical SMILES for [(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea is CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)Cn1nc(C)cc1C.
What is the InChIKey of [(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea?
The InChIKey is ZZZCRFXAVCGOLQ-UFBFGSQYSA-N. The full InChI is InChI=1S/C14H24N6O3/c1-5-8(2)12(16-14(15)23)13(22)18-17-11(21)7-20-10(4)6-9(3)19-20/h6,8,12H,5,7H2,1-4H3,(H,17,21)(H,18,22)(H3,15,16,23)/t8-,12-/m0/s1.
What are the key properties of [(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea?
[(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea has a molecular weight of 324.39 g/mol, XLogP of -0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea is sourced from PubChem (CID 7613436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).