4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C10H11ClF3N7OS — CID 118771309

IUPAC4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nnnc1SCCNC(=O)c1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C10H11ClF3N7OS/c1-20-6(5(11)7(17-20)10(12,13)14)8(22)15-3-4-23-9-16-18-19-21(9)2/h3-4H2,1-2H3,(H,15,22)
InChIKeyLDQHQZQHBHPSID-UHFFFAOYSA-N
MW369.76 g/mol
LogP1.14
Rot. Bonds5

About 4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 118771309) has the molecular formula C10H11ClF3N7OS and a molecular weight of 369.76 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID118771309
Molecular FormulaC10H11ClF3N7OS
Molecular Weight369.76 g/mol
Exact Mass369.04
IUPAC Name4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nnnc1SCCNC(=O)c1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C10H11ClF3N7OS/c1-20-6(5(11)7(17-20)10(12,13)14)8(22)15-3-4-23-9-16-18-19-21(9)2/h3-4H2,1-2H3,(H,15,22)
InChIKeyLDQHQZQHBHPSID-UHFFFAOYSA-N
XLogP1.14
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.76
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481557
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19506699
4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19328080
4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481636
N-[(4-tert-butylphenyl)methyl]-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24865554
4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 14836867
4-chloro-1-methyl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4772994
2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 77098009
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 91771033
4-(1-methyltetrazol-5-yl)sulfanylbutan-2-one
CID 3613438
4-chloro-1-methyl-N-morpholin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4767775
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 118771309) is 4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nnnc1SCCNC(=O)c1c(Cl)c(C(F)(F)F)nn1C.
What is the InChIKey of 4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is LDQHQZQHBHPSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N7OS/c1-20-6(5(11)7(17-20)10(12,13)14)8(22)15-3-4-23-9-16-18-19-21(9)2/h3-4H2,1-2H3,(H,15,22).
What are the key properties of 4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 369.76 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 118771309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).