5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide

C10H10ClN5O4 — CID 3644900

IUPAC5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)NN)o1
InChIInChI=1S/C10H10ClN5O4/c1-5-8(11)9(16(18)19)14-15(5)4-6-2-3-7(20-6)10(17)13-12/h2-3H,4,12H2,1H3,(H,13,17)
InChIKeyNMSMZZIZECOXGN-UHFFFAOYSA-N
MW299.67 g/mol
LogP1.00
Rot. Bonds4

About 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide

5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 3644900) has the molecular formula C10H10ClN5O4 and a molecular weight of 299.67 g/mol. Its IUPAC name is 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide
PubChem CID3644900
Molecular FormulaC10H10ClN5O4
Molecular Weight299.67 g/mol
Exact Mass299.04
IUPAC Name5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)NN)o1
InChIInChI=1S/C10H10ClN5O4/c1-5-8(11)9(16(18)19)14-15(5)4-6-2-3-7(20-6)10(17)13-12/h2-3H,4,12H2,1H3,(H,13,17)
InChIKeyNMSMZZIZECOXGN-UHFFFAOYSA-N
XLogP1.00
TPSA129.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.67
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide (CID 3644900) is 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide is Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)NN)o1.
What is the InChIKey of 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is NMSMZZIZECOXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O4/c1-5-8(11)9(16(18)19)14-15(5)4-6-2-3-7(20-6)10(17)13-12/h2-3H,4,12H2,1H3,(H,13,17).
What are the key properties of 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide?
5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 299.67 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 3644900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).