N-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

C21H19N5O2S — CID 42375989

IUPACN-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C
InChIInChI=1S/C21H19N5O2S/c1-14-16(20(27)23-12-15-6-3-4-7-18(15)28-2)13-24-26(14)21-22-10-9-17(25-21)19-8-5-11-29-19/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeyUHFRXJDEJNAGMT-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.64
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

N-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 42375989) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID42375989
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C
InChIInChI=1S/C21H19N5O2S/c1-14-16(20(27)23-12-15-6-3-4-7-18(15)28-2)13-24-26(14)21-22-10-9-17(25-21)19-8-5-11-29-19/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeyUHFRXJDEJNAGMT-UHFFFAOYSA-N
XLogP3.64
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thien-2-yl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3243576
[2-fluoro-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl] N-propan-2-ylcarbamate
CID 44590721
5-(ethoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 72163556
N-(4-methoxybenzyl)-3-(3-pyridinyl)-1-(2-thienylcarbonyl)-1H-1,2,4-triazol-5-amine
CID 2239603
5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 42171034
N-[2-methoxy-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-methylbutanamide
CID 44590640
2-[(2-Methoxyphenyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)guanidine
CID 49830644
US10100058, Example 112
CID 134540068
N-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 42358965
1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42397071
N-cyclohexyl-1-[4-(2,5-dimethyl-3-thienyl)-2-pyrimidinyl]-5-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 42398856
1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-5-methyl-N-(4-pyridinylmethyl)-1H-pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (CID 42375989) is N-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is COc1ccccc1CNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is UHFRXJDEJNAGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-14-16(20(27)23-12-15-6-3-4-7-18(15)28-2)13-24-26(14)21-22-10-9-17(25-21)19-8-5-11-29-19/h3-11,13H,12H2,1-2H3,(H,23,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 42375989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).