N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide

C12H13N3O — CID 43532955

IUPACN-(3-ethylphenyl)-1H-pyrazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C12H13N3O/c1-2-9-4-3-5-11(6-9)15-12(16)10-7-13-14-8-10/h3-8H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyAUARVQORAWSSGZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.22
Rot. Bonds3

About N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide

N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 43532955) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID43532955
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(3-ethylphenyl)-1H-pyrazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C12H13N3O/c1-2-9-4-3-5-11(6-9)15-12(16)10-7-13-14-8-10/h3-8H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyAUARVQORAWSSGZ-UHFFFAOYSA-N
XLogP2.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65345747
N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
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1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
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N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide
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methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
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N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 54867752
N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182293
N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60786152
N-(3-ethylphenyl)-2-[methyl(1H-pyrazol-4-ylmethyl)amino]acetamide
CID 126811237
N-(3-ethylphenyl)-3-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide (CID 43532955) is N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide is CCc1cccc(NC(=O)c2cn[nH]c2)c1.
What is the InChIKey of N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is AUARVQORAWSSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-9-4-3-5-11(6-9)15-12(16)10-7-13-14-8-10/h3-8H,2H2,1H3,(H,13,14)(H,15,16).
What are the key properties of N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide?
N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43532955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).