N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C14H14ClN7OS — CID 8007009

IUPACN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnnn1C
InChIInChI=1S/C14H14ClN7OS/c1-21-12(7-11(18-21)9-3-5-10(15)6-4-9)16-13(23)8-24-14-17-19-20-22(14)2/h3-7H,8H2,1-2H3,(H,16,23)
InChIKeyROEIFWQXMPGXLT-UHFFFAOYSA-N
MW363.83 g/mol
LogP1.99
Rot. Bonds5

About N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 8007009) has the molecular formula C14H14ClN7OS and a molecular weight of 363.83 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID8007009
Molecular FormulaC14H14ClN7OS
Molecular Weight363.83 g/mol
Exact Mass363.07
IUPAC NameN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnnn1C
InChIInChI=1S/C14H14ClN7OS/c1-21-12(7-11(18-21)9-3-5-10(15)6-4-9)16-13(23)8-24-14-17-19-20-22(14)2/h3-7H,8H2,1-2H3,(H,16,23)
InChIKeyROEIFWQXMPGXLT-UHFFFAOYSA-N
XLogP1.99
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8005758
[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8759291
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021873
2-(1-methyltetrazol-5-yl)sulfanyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036732
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 17443727
N-[3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 650332
2-(1-methyltetrazol-5-yl)sulfanyl-N-[7-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]naphthalen-2-yl]acetamide
CID 17325042
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 3939996
N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2391024
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 53338622
N-[4-(diethylamino)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3615149
2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 24570262

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 8007009) is N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnnn1C.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ROEIFWQXMPGXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN7OS/c1-21-12(7-11(18-21)9-3-5-10(15)6-4-9)16-13(23)8-24-14-17-19-20-22(14)2/h3-7H,8H2,1-2H3,(H,16,23).
What are the key properties of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 363.83 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 8007009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).