N-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide

C14H17ClFN3OSi — CID 86619648

IUPACN-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2Cl)n[nH]c1[Si](C)(C)C
InChIInChI=1S/C14H17ClFN3OSi/c1-8-12(18-19-14(8)21(2,3)4)13(20)17-11-6-5-9(16)7-10(11)15/h5-7H,1-4H3,(H,17,20)(H,18,19)
InChIKeySBRLGHCMEIRKKH-UHFFFAOYSA-N
MW325.85 g/mol
LogP3.31
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide

N-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide (PubChem CID 86619648) has the molecular formula C14H17ClFN3OSi and a molecular weight of 325.85 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide
PubChem CID86619648
Molecular FormulaC14H17ClFN3OSi
Molecular Weight325.85 g/mol
Exact Mass325.08
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2Cl)n[nH]c1[Si](C)(C)C
InChIInChI=1S/C14H17ClFN3OSi/c1-8-12(18-19-14(8)21(2,3)4)13(20)17-11-6-5-9(16)7-10(11)15/h5-7H,1-4H3,(H,17,20)(H,18,19)
InChIKeySBRLGHCMEIRKKH-UHFFFAOYSA-N
XLogP3.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.85
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-chloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 122185518
4-Chloro-N-(2-chloro-4-fluorophenyl)pyrazole-3-carboxamide
CID 16659602
5-Chloro-N-(2-chloro-4-fluorophenyl)pyrazole-3-carboxamide
CID 16659603
N-(2-Chloro-4-fluorophenyl)-4-fluoropyrazole-3-carboxamide
CID 16659607
N-(2-Chloro-4-fluorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 16659761
4,5-dichloro-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 16659762
N-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 16659930
N-(2-Chloro-4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 68947659
4-Methylpyrazole-3-carboxylic acid (2-chloro-4-fluorophenyl)amide
CID 86232761
5-Methylpyrazole-3-carboxylic acid (2-chloro-4-fluorophenyl)amide
CID 86232780
4-Butylpyrazole-3-carboxylic acid (2-chloro-4-fluorophenyl)amide
CID 86619651
4-chloro-N-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 16659767

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide (CID 86619648) is N-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2Cl)n[nH]c1[Si](C)(C)C.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide?
The InChIKey is SBRLGHCMEIRKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3OSi/c1-8-12(18-19-14(8)21(2,3)4)13(20)17-11-6-5-9(16)7-10(11)15/h5-7H,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide?
N-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide has a molecular weight of 325.85 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-methyl-5-trimethylsilyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 86619648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).