N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide

C12H11ClN4O3 — CID 19475346

IUPACN-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H11ClN4O3/c1-2-16-11(5-6-14-16)12(18)15-10-7-8(17(19)20)3-4-9(10)13/h3-7H,2H2,1H3,(H,15,18)
InChIKeyBRPIOGYKRXOPNP-UHFFFAOYSA-N
MW294.70 g/mol
LogP2.72
Rot. Bonds4

About N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide

N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide (PubChem CID 19475346) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide
PubChem CID19475346
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC NameN-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C12H11ClN4O3/c1-2-16-11(5-6-14-16)12(18)15-10-7-8(17(19)20)3-4-9(10)13/h3-7H,2H2,1H3,(H,15,18)
InChIKeyBRPIOGYKRXOPNP-UHFFFAOYSA-N
XLogP2.72
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 19578896
4-bromo-N-(2-chloro-5-nitrophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955303
2-ethyl-N-[3-[(4-nitrobenzoyl)amino]phenyl]pyrazole-3-carboxamide
CID 4865698
(E)-3-(2-chloro-5-nitrophenyl)-1-(2-ethylpyrazol-3-yl)prop-2-en-1-one
CID 19553243
N-(2-chloro-5-nitrophenyl)-3-(5-methylpyrazol-1-yl)propanamide
CID 19569884
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
N-(2-chloro-5-nitrophenyl)-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19581512
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
[2-(2-chloro-5-nitroanilino)-2-oxoethyl]-trimethylazanium chloride
CID 11098862
N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide
CID 3483393
N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide
CID 157051605
N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526489

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide (CID 19475346) is N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide?
The InChIKey is BRPIOGYKRXOPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c1-2-16-11(5-6-14-16)12(18)15-10-7-8(17(19)20)3-4-9(10)13/h3-7H,2H2,1H3,(H,15,18).
What are the key properties of N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide?
N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide has a molecular weight of 294.70 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19475346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).