4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide

C12H14ClN7O4 — CID 1000166

IUPAC4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide
SMILESCCn1cc(Cl)c(C(=O)NNC(=O)CCn2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C12H14ClN7O4/c1-2-18-7-9(13)11(17-18)12(22)16-15-10(21)3-4-19-6-8(5-14-19)20(23)24/h5-7H,2-4H2,1H3,(H,15,21)(H,16,22)
InChIKeyUPKSZQXLTBLWIY-UHFFFAOYSA-N
MW355.74 g/mol
LogP0.51
Rot. Bonds6

About 4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide

4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide (PubChem CID 1000166) has the molecular formula C12H14ClN7O4 and a molecular weight of 355.74 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide
PubChem CID1000166
Molecular FormulaC12H14ClN7O4
Molecular Weight355.74 g/mol
Exact Mass355.08
IUPAC Name4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide
SMILESCCn1cc(Cl)c(C(=O)NNC(=O)CCn2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C12H14ClN7O4/c1-2-18-7-9(13)11(17-18)12(22)16-15-10(21)3-4-19-6-8(5-14-19)20(23)24/h5-7H,2-4H2,1H3,(H,15,21)(H,16,22)
InChIKeyUPKSZQXLTBLWIY-UHFFFAOYSA-N
XLogP0.51
TPSA136.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.74
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide 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

4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide
CID 999170
4-chloro-1-ethyl-N'-(3-{3-nitro-1H-pyrazol-1-yl}propanoyl)-1H-pyrazole-3-carbohydrazide
CID 1000305
4-Chloro-3,5-dimethylpyrazolyl 1-methyl-4-nitropyrazol-3-yl ketone
CID 798363
N-(1,3-dimethyl-1H-pyrazol-4-yl)-4-nitro-1-methyl-1H-pyrazole-3-carboxamide
CID 831427
4-bromo-1-methyl-N'-[(1-methyl-4-nitro-1H-pyrazol-3-yl)carbonyl]-1H-pyrazole-3-carbohydrazide
CID 3136987
1-methyl-4-nitro-N-(4-nitropyrazol-1-yl)pyrazole-3-carboxamide
CID 4765841
N'~3~-[(1-Ethyl-5-fluoro-1H-pyrazol-4-YL)methylene]-1-methyl-4-nitro-1H-pyrazole-3-carbohydrazide
CID 119055979
1-Ethyl-N'~3~-[(1-ethyl-5-fluoro-1H-pyrazol-4-YL)methylene]-4-nitro-1H-pyrazole-3-carbohydrazide
CID 119055990
1-ethyl-N-[(Z)-(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-4-nitropyrazole-3-carboxamide
CID 124842613
N-[(Z)-(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methyl-4-nitropyrazole-3-carboxamide
CID 124848349
N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methyl-4-nitropyrazole-3-carboxamide
CID 171131043
1-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-4-nitropyrazole-3-carboxamide
CID 171131054

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide?
The IUPAC name of 4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide (CID 1000166) is 4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide.
What is the SMILES notation for 4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide?
The canonical SMILES for 4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide is CCn1cc(Cl)c(C(=O)NNC(=O)CCn2cc([N+](=O)[O-])cn2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide?
The InChIKey is UPKSZQXLTBLWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN7O4/c1-2-18-7-9(13)11(17-18)12(22)16-15-10(21)3-4-19-6-8(5-14-19)20(23)24/h5-7H,2-4H2,1H3,(H,15,21)(H,16,22).
What are the key properties of 4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide?
4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide has a molecular weight of 355.74 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide is sourced from PubChem (CID 1000166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).