3,5-dichloro-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methoxy-N-methylbenzamide

C16H19Cl2N3O2 — CID 99972087

IUPAC3,5-dichloro-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methoxy-N-methylbenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)N(C)[C@@H](C)c1c(C)n[nH]c1C
InChIInChI=1S/C16H19Cl2N3O2/c1-8-14(9(2)20-19-8)10(3)21(4)16(22)12-6-11(17)7-13(18)15(12)23-5/h6-7,10H,1-5H3,(H,19,20)/t10-/m0/s1
InChIKeyJGPFTLBUOXMTMC-JTQLQIEISA-N
MW356.25 g/mol
LogP4.18
Rot. Bonds4

About 3,5-dichloro-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methoxy-N-methylbenzamide

3,5-dichloro-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methoxy-N-methylbenzamide (PubChem CID 99972087) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 3,5-dichloro-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methoxy-N-methylbenzamide
PubChem CID99972087
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name3,5-dichloro-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methoxy-N-methylbenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)N(C)[C@@H](C)c1c(C)n[nH]c1C
InChIInChI=1S/C16H19Cl2N3O2/c1-8-14(9(2)20-19-8)10(3)21(4)16(22)12-6-11(17)7-13(18)15(12)23-5/h6-7,10H,1-5H3,(H,19,20)/t10-/m0/s1
InChIKeyJGPFTLBUOXMTMC-JTQLQIEISA-N
XLogP4.18
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of 3,5-dichloro-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methoxy-N-methylbenzamide (CID 99972087) is 3,5-dichloro-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 3,5-dichloro-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methoxy-N-methylbenzamide is COc1c(Cl)cc(Cl)cc1C(=O)N(C)[C@@H](C)c1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dichloro-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methoxy-N-methylbenzamide?
The InChIKey is JGPFTLBUOXMTMC-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-8-14(9(2)20-19-8)10(3)21(4)16(22)12-6-11(17)7-13(18)15(12)23-5/h6-7,10H,1-5H3,(H,19,20)/t10-/m0/s1.
What are the key properties of 3,5-dichloro-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methoxy-N-methylbenzamide?
3,5-dichloro-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methoxy-N-methylbenzamide has a molecular weight of 356.25 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 99972087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).