N,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide

C20H29N3OS — CID 72902050

IUPACN,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide
SMILESCCN(Cc1ccc(SC)cc1)C(=O)c1cc(CC(C)C)nn1CC
InChIInChI=1S/C20H29N3OS/c1-6-22(14-16-8-10-18(25-5)11-9-16)20(24)19-13-17(12-15(3)4)21-23(19)7-2/h8-11,13,15H,6-7,12,14H2,1-5H3
InChIKeyLHPMFGUYMCZGLD-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.49
Rot. Bonds8

About N,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide

N,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide (PubChem CID 72902050) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is N,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide
PubChem CID72902050
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC NameN,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide
SMILESCCN(Cc1ccc(SC)cc1)C(=O)c1cc(CC(C)C)nn1CC
InChIInChI=1S/C20H29N3OS/c1-6-22(14-16-8-10-18(25-5)11-9-16)20(24)19-13-17(12-15(3)4)21-23(19)7-2/h8-11,13,15H,6-7,12,14H2,1-5H3
InChIKeyLHPMFGUYMCZGLD-UHFFFAOYSA-N
XLogP4.49
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of N,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide (CID 72902050) is N,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for N,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for N,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide is CCN(Cc1ccc(SC)cc1)C(=O)c1cc(CC(C)C)nn1CC.
What is the InChIKey of N,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is LHPMFGUYMCZGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c1-6-22(14-16-8-10-18(25-5)11-9-16)20(24)19-13-17(12-15(3)4)21-23(19)7-2/h8-11,13,15H,6-7,12,14H2,1-5H3.
What are the key properties of N,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide?
N,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 359.54 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 72902050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).