N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C19H15ClFN7O — CID 17443727

IUPACN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H15ClFN7O/c1-27-17(10-16(24-27)12-2-6-14(20)7-3-12)22-18(29)11-28-25-19(23-26-28)13-4-8-15(21)9-5-13/h2-10H,11H2,1H3,(H,22,29)
InChIKeyFMUUDRDNOYOMOI-UHFFFAOYSA-N
MW411.83 g/mol
LogP3.17
Rot. Bonds5

About N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 17443727) has the molecular formula C19H15ClFN7O and a molecular weight of 411.83 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID17443727
Molecular FormulaC19H15ClFN7O
Molecular Weight411.83 g/mol
Exact Mass411.10
IUPAC NameN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H15ClFN7O/c1-27-17(10-16(24-27)12-2-6-14(20)7-3-12)22-18(29)11-28-25-19(23-26-28)13-4-8-15(21)9-5-13/h2-10H,11H2,1H3,(H,22,29)
InChIKeyFMUUDRDNOYOMOI-UHFFFAOYSA-N
XLogP3.17
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.83
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 7993306
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-(2,6-dibromo-4-methylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 16517367
N-(4-chloro-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 9355146
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
N-(4-bromo-2-methylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 26685438
dimethyl 5-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 7713251
N-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465851
[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8759291
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
CID 78839406
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465951

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 17443727) is N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is FMUUDRDNOYOMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN7O/c1-27-17(10-16(24-27)12-2-6-14(20)7-3-12)22-18(29)11-28-25-19(23-26-28)13-4-8-15(21)9-5-13/h2-10H,11H2,1H3,(H,22,29).
What are the key properties of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 411.83 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 17443727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).