N-(2,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide

C12H11Cl2N3O — CID 892997

IUPACN-(2,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-2-17-11(5-6-15-17)12(18)16-10-4-3-8(13)7-9(10)14/h3-7H,2H2,1H3,(H,16,18)
InChIKeyBTPKXAXXINVXQU-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.46
Rot. Bonds3

About N-(2,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide

N-(2,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide (PubChem CID 892997) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide
PubChem CID892997
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC NameN-(2,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-2-17-11(5-6-15-17)12(18)16-10-4-3-8(13)7-9(10)14/h3-7H,2H2,1H3,(H,16,18)
InChIKeyBTPKXAXXINVXQU-UHFFFAOYSA-N
XLogP3.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide (CID 892997) is N-(2,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide?
The InChIKey is BTPKXAXXINVXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-2-17-11(5-6-15-17)12(18)16-10-4-3-8(13)7-9(10)14/h3-7H,2H2,1H3,(H,16,18).
What are the key properties of N-(2,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide?
N-(2,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 892997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).