4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide

C14H18ClN7O4 — CID 999170

IUPAC4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide
SMILESCCn1cc(Cl)c(C(=O)NNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)n1
InChIInChI=1S/C14H18ClN7O4/c1-4-20-7-10(15)12(19-20)14(24)17-16-11(23)5-6-21-9(3)13(22(25)26)8(2)18-21/h7H,4-6H2,1-3H3,(H,16,23)(H,17,24)
InChIKeyILXYMSMKDDSABN-UHFFFAOYSA-N
MW383.80 g/mol
LogP1.13
Rot. Bonds6

About 4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide

4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide (PubChem CID 999170) has the molecular formula C14H18ClN7O4 and a molecular weight of 383.80 g/mol. Its IUPAC name is 4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide
PubChem CID999170
Molecular FormulaC14H18ClN7O4
Molecular Weight383.80 g/mol
Exact Mass383.11
IUPAC Name4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide
SMILESCCn1cc(Cl)c(C(=O)NNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)n1
InChIInChI=1S/C14H18ClN7O4/c1-4-20-7-10(15)12(19-20)14(24)17-16-11(23)5-6-21-9(3)13(22(25)26)8(2)18-21/h7H,4-6H2,1-3H3,(H,16,23)(H,17,24)
InChIKeyILXYMSMKDDSABN-UHFFFAOYSA-N
XLogP1.13
TPSA136.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 51.13
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'}

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Related Compounds

4-chloro-1-ethyl-N'-[3-(4-nitropyrazol-1-yl)propanoyl]pyrazole-3-carbohydrazide
CID 1000166
4-Chloro-3,5-dimethylpyrazolyl 1-methyl-4-nitropyrazol-3-yl ketone
CID 798363
4-chloro-1-({4-nitro-1-methyl-1H-pyrazol-5-yl}carbonyl)-3,5-dimethyl-1H-pyrazole
CID 1222419
4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263524
4-chloro-1-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263822
4-chloro-1-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19281763
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19325897
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 19325898
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19325909
N'-(4-chloro-1-methylpyrazole-3-carbonyl)-1-methyl-4-nitropyrazole-3-carbohydrazide
CID 3136985
N-(3-carbamoyl-1-ethyl-1H-pyrazol-4-yl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
CID 4772963
N'-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-2-methylpropanoyl]-4-iodo-1-methyl-1H-pyrazole-3-carbohydrazide
CID 4773765

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide?
The IUPAC name of 4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide (CID 999170) is 4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide.
What is the SMILES notation for 4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide?
The canonical SMILES for 4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide is CCn1cc(Cl)c(C(=O)NNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)n1.
What is the InChIKey of 4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide?
The InChIKey is ILXYMSMKDDSABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN7O4/c1-4-20-7-10(15)12(19-20)14(24)17-16-11(23)5-6-21-9(3)13(22(25)26)8(2)18-21/h7H,4-6H2,1-3H3,(H,16,23)(H,17,24).
What are the key properties of 4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide?
4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide has a molecular weight of 383.80 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]-1-ethylpyrazole-3-carbohydrazide is sourced from PubChem (CID 999170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).