4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide

C14H16ClN3O — CID 35522358

IUPAC4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1nn(CC)cc1Cl
InChIInChI=1S/C14H16ClN3O/c1-3-10-7-5-6-8-12(10)16-14(19)13-11(15)9-18(4-2)17-13/h5-9H,3-4H2,1-2H3,(H,16,19)
InChIKeySSLILSBYVBOONM-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.37
Rot. Bonds4

About 4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide

4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide (PubChem CID 35522358) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide
PubChem CID35522358
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1nn(CC)cc1Cl
InChIInChI=1S/C14H16ClN3O/c1-3-10-7-5-6-8-12(10)16-14(19)13-11(15)9-18(4-2)17-13/h5-9H,3-4H2,1-2H3,(H,16,19)
InChIKeySSLILSBYVBOONM-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-4-chloropyrazol-3-yl)-4-chloro-1-ethylpyrazole-3-carboxamide
CID 19263402
4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19263448
4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide
CID 35522479
4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 35522426
methyl 4-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 19263773
4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19263479
4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 65358840
N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide
CID 45497225
4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide
CID 19263279
4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19263433
4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide
CID 65358599
4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 17022084

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide (CID 35522358) is 4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide is CCc1ccccc1NC(=O)c1nn(CC)cc1Cl.
What is the InChIKey of 4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide?
The InChIKey is SSLILSBYVBOONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-10-7-5-6-8-12(10)16-14(19)13-11(15)9-18(4-2)17-13/h5-9H,3-4H2,1-2H3,(H,16,19).
What are the key properties of 4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 35522358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).