4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide

C4H4ClN5O3 — CID 135645599

IUPAC4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide
SMILESNNC(=O)c1n[nH]c([N+](=O)[O-])c1Cl
InChIInChI=1S/C4H4ClN5O3/c5-1-2(4(11)7-6)8-9-3(1)10(12)13/h6H2,(H,7,11)(H,8,9)
InChIKeyCBXSYLDEWJXSDA-UHFFFAOYSA-N
MW205.56 g/mol
LogP-0.43
Rot. Bonds2

About 4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide

4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide (PubChem CID 135645599) has the molecular formula C4H4ClN5O3 and a molecular weight of 205.56 g/mol. Its IUPAC name is 4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide
PubChem CID135645599
Molecular FormulaC4H4ClN5O3
Molecular Weight205.56 g/mol
Exact Mass205.00
IUPAC Name4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide
SMILESNNC(=O)c1n[nH]c([N+](=O)[O-])c1Cl
InChIInChI=1S/C4H4ClN5O3/c5-1-2(4(11)7-6)8-9-3(1)10(12)13/h6H2,(H,7,11)(H,8,9)
InChIKeyCBXSYLDEWJXSDA-UHFFFAOYSA-N
XLogP-0.43
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.56
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135567957
4-chloro-5-nitro-N-(pyridin-1-ium-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 135505052
4-chloro-N-[(4-fluorophenyl)methyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803520
4-chloro-N-[2-(diethylamino)ethyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803768
4-chloro-N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135803610
4-chloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803714
N-(5-bromo-2-pyridinyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide
CID 135803518
4-chloro-N-(2-hydroxy-5-nitrophenyl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135803794
4-chloro-N-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135803711
4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803657
4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803693
4-chloro-5-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 135803539

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide (CID 135645599) is 4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide is NNC(=O)c1n[nH]c([N+](=O)[O-])c1Cl.
What is the InChIKey of 4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide?
The InChIKey is CBXSYLDEWJXSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN5O3/c5-1-2(4(11)7-6)8-9-3(1)10(12)13/h6H2,(H,7,11)(H,8,9).
What are the key properties of 4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide?
4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide has a molecular weight of 205.56 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-nitro-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 135645599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).