2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide

C11H13N5O3 — CID 793009

IUPAC2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide
SMILESNNC(=O)C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NN1
InChIInChI=1S/C11H13N5O3/c12-13-11(17)6-8-5-10(15-14-8)7-2-1-3-9(4-7)16(18)19/h1-4,8,14H,5-6,12H2,(H,13,17)/t8-/m1/s1
InChIKeyVGZCWWJJXNEMGE-MRVPVSSYSA-N
MW263.26 g/mol
LogP0.04
Rot. Bonds4

About 2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide

2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide (PubChem CID 793009) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide.

Molecular Properties

Compound Name2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide
PubChem CID793009
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide
SMILESNNC(=O)C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NN1
InChIInChI=1S/C11H13N5O3/c12-13-11(17)6-8-5-10(15-14-8)7-2-1-3-9(4-7)16(18)19/h1-4,8,14H,5-6,12H2,(H,13,17)/t8-/m1/s1
InChIKeyVGZCWWJJXNEMGE-MRVPVSSYSA-N
XLogP0.04
TPSA122.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11390420
5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole
CID 10520620
2-chloro-7-methyl-3-[3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
CID 10915547
ethyl 4-(3-nitrophenyl)cyclohex-3-ene-1-carboxylate
CID 58801072
N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212
2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide
CID 10041509
1-[(3S)-3-(4-fluorophenyl)-5-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 973158
2-[3-(3-nitrophenyl)oxetan-3-yl]acetohydrazide
CID 139349935
formic acid;1-nitro-3-phenylbenzene
CID 158057338
4-[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]butanal
CID 18753375
1-[(3S)-5-(3-nitrophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 704630
(5R)-5-methyl-3-(3-nitrophenyl)-4H-1,2-oxazole-5-carboxylic acid
CID 95658887

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide?
The IUPAC name of 2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide (CID 793009) is 2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide.
What is the SMILES notation for 2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide?
The canonical SMILES for 2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide is NNC(=O)C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NN1.
What is the InChIKey of 2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide?
The InChIKey is VGZCWWJJXNEMGE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13N5O3/c12-13-11(17)6-8-5-10(15-14-8)7-2-1-3-9(4-7)16(18)19/h1-4,8,14H,5-6,12H2,(H,13,17)/t8-/m1/s1.
What are the key properties of 2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide?
2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide has a molecular weight of 263.26 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-yl]acetohydrazide is sourced from PubChem (CID 793009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).