(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide

C17H28N4O4 — CID 95341337

IUPAC(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)[C@@H](OC[C@H]2CCCO2)C(C)C)n1
InChIInChI=1S/C17H28N4O4/c1-11(2)16(25-10-14-6-5-7-24-14)17(23)19-18-15(22)9-21-13(4)8-12(3)20-21/h8,11,14,16H,5-7,9-10H2,1-4H3,(H,18,22)(H,19,23)/t14-,16+/m1/s1
InChIKeyYWVQMVCYQDGCKQ-ZBFHGGJFSA-N
MW352.44 g/mol
LogP0.87
Rot. Bonds7

About (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide

(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide (PubChem CID 95341337) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide
PubChem CID95341337
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Name(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)[C@@H](OC[C@H]2CCCO2)C(C)C)n1
InChIInChI=1S/C17H28N4O4/c1-11(2)16(25-10-14-6-5-7-24-14)17(23)19-18-15(22)9-21-13(4)8-12(3)20-21/h8,11,14,16H,5-7,9-10H2,1-4H3,(H,18,22)(H,19,23)/t14-,16+/m1/s1
InChIKeyYWVQMVCYQDGCKQ-ZBFHGGJFSA-N
XLogP0.87
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 50.87
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

(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 97435362
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 51953800
(2R)-N-(4-amino-3,5-dichlorophenyl)-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanamide
CID 52536429
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-2-(oxolan-2-ylmethoxy)butanamide
CID 47082562
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methyl-2-(oxolan-2-ylmethoxy)butanamide
CID 47082554
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
CID 52539512
2-(3,5-dimethylpyrazol-1-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide
CID 94633627
(2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
CID 95142078
3-cyclohexyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 7780052
[(2S,3S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 7613436
2-[(1R)-cyclopent-2-en-1-yl]-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]acetohydrazide
CID 9424979
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66213461

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide?
The IUPAC name of (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide (CID 95341337) is (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide.
What is the SMILES notation for (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide?
The canonical SMILES for (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide is Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](OC[C@H]2CCCO2)C(C)C)n1.
What is the InChIKey of (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide?
The InChIKey is YWVQMVCYQDGCKQ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-11(2)16(25-10-14-6-5-7-24-14)17(23)19-18-15(22)9-21-13(4)8-12(3)20-21/h8,11,14,16H,5-7,9-10H2,1-4H3,(H,18,22)(H,19,23)/t14-,16+/m1/s1.
What are the key properties of (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide?
(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide has a molecular weight of 352.44 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-2-[[(2R)-oxolan-2-yl]methoxy]butanehydrazide is sourced from PubChem (CID 95341337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).