N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide

C24H19N7OS — CID 38680315

IUPACN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C24H19N7OS/c1-33-24-26-28-29-31(24)20-14-8-11-18(15-20)25-23(32)21-16-30(19-12-6-3-7-13-19)27-22(21)17-9-4-2-5-10-17/h2-16H,1H3,(H,25,32)
InChIKeyPXCZBPXLKCNNIH-UHFFFAOYSA-N
MW453.53 g/mol
LogP4.49
Rot. Bonds6

About N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 38680315) has the molecular formula C24H19N7OS and a molecular weight of 453.53 g/mol. Its IUPAC name is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID38680315
Molecular FormulaC24H19N7OS
Molecular Weight453.53 g/mol
Exact Mass453.14
IUPAC NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C24H19N7OS/c1-33-24-26-28-29-31(24)20-14-8-11-18(15-20)25-23(32)21-16-30(19-12-6-3-7-13-19)27-22(21)17-9-4-2-5-10-17/h2-16H,1H3,(H,25,32)
InChIKeyPXCZBPXLKCNNIH-UHFFFAOYSA-N
XLogP4.49
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 39126999
4-fluoro-2-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55966320
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 55608809
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
CID 166184461
2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 39127304
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 134034450
3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679896
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281414
1-(4-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55609101

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide (CID 38680315) is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide is CSc1nnnn1-c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is PXCZBPXLKCNNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7OS/c1-33-24-26-28-29-31(24)20-14-8-11-18(15-20)25-23(32)21-16-30(19-12-6-3-7-13-19)27-22(21)17-9-4-2-5-10-17/h2-16H,1H3,(H,25,32).
What are the key properties of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide?
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 453.53 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 38680315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).