1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide

C13H14N4O4 — CID 19281013

IUPAC1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1
InChIInChI=1S/C13H14N4O4/c1-3-16-8-9(7-14-16)13(18)15-11-5-4-10(17(19)20)6-12(11)21-2/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyBBMQARUSFWKUCY-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.07
Rot. Bonds5

About 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide

1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide (PubChem CID 19281013) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide
PubChem CID19281013
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1
InChIInChI=1S/C13H14N4O4/c1-3-16-8-9(7-14-16)13(18)15-11-5-4-10(17(19)20)6-12(11)21-2/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeyBBMQARUSFWKUCY-UHFFFAOYSA-N
XLogP2.07
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide
CID 22774330
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 35295311
4-bromo-N-(2-methoxy-4-nitrophenyl)benzamide
CID 5234028
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
3-(4-chloropyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 19542063
1-[(4-bromopyrazol-1-yl)methyl]-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide
CID 19271712
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
4-(butanoylamino)-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2952481
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2915297
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-methoxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414812

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide (CID 19281013) is 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1.
What is the InChIKey of 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide?
The InChIKey is BBMQARUSFWKUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-3-16-8-9(7-14-16)13(18)15-11-5-4-10(17(19)20)6-12(11)21-2/h4-8H,3H2,1-2H3,(H,15,18).
What are the key properties of 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide?
1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 19281013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).