N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide

C18H20N4OS — CID 166192253

IUPACN-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(-c3cccnc3)s2)cnn1CC(C)C
InChIInChI=1S/C18H20N4OS/c1-12(2)11-22-13(3)15(10-20-22)21-18(23)17-7-6-16(24-17)14-5-4-8-19-9-14/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyKXTVQTNWKOOLLT-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.22
Rot. Bonds5

About N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide

N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 166192253) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide
PubChem CID166192253
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(-c3cccnc3)s2)cnn1CC(C)C
InChIInChI=1S/C18H20N4OS/c1-12(2)11-22-13(3)15(10-20-22)21-18(23)17-7-6-16(24-17)14-5-4-8-19-9-14/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyKXTVQTNWKOOLLT-UHFFFAOYSA-N
XLogP4.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 166218469
(2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid
CID 100651621
5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide
CID 122143589
5-pyridin-3-ylthiophene-2-carboxamide
CID 142116945
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 23599499
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 10271460
N-(4-chlorophenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;N-(4-hydroxyphenyl)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-3-ylthiophene-2-carboxamide;5-[4-(2-methylpropyl)phenyl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 158545674
3-(hydroxymethyl)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]benzamide
CID 126810268
N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 166217040
5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid
CID 146133192
3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
CID 102393188
N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
CID 59580621

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide (CID 166192253) is N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide is Cc1c(NC(=O)c2ccc(-c3cccnc3)s2)cnn1CC(C)C.
What is the InChIKey of N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is KXTVQTNWKOOLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12(2)11-22-13(3)15(10-20-22)21-18(23)17-7-6-16(24-17)14-5-4-8-19-9-14/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide?
N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 166192253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).