N-cyclohexyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide

C22H27N5O2S — CID 42398856

IUPACN-cyclohexyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NC2CCCCC2)cnn1-c1nccc(-c2cc(C)sc2C)n1
InChIInChI=1S/C22H27N5O2S/c1-14-11-17(15(2)30-14)19-9-10-23-22(26-19)27-20(13-29-3)18(12-24-27)21(28)25-16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3,(H,25,28)
InChIKeyOIVSTSXGNUBTBU-UHFFFAOYSA-N
MW425.56 g/mol
LogP4.22
Rot. Bonds6

About N-cyclohexyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide

N-cyclohexyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide (PubChem CID 42398856) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is N-cyclohexyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide
PubChem CID42398856
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC NameN-cyclohexyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NC2CCCCC2)cnn1-c1nccc(-c2cc(C)sc2C)n1
InChIInChI=1S/C22H27N5O2S/c1-14-11-17(15(2)30-14)19-9-10-23-22(26-19)27-20(13-29-3)18(12-24-27)21(28)25-16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3,(H,25,28)
InChIKeyOIVSTSXGNUBTBU-UHFFFAOYSA-N
XLogP4.22
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 67390737
5-ethyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 72163408
5-(ethoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 72163556
4,5,6,7-tetrahydro-1-benzothiophen-2-yl-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
CID 162674443
5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 42171034
5-cyclopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 31015864
[1-[4-(2,5-Dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 42359038
N-[(2-methoxyphenyl)methyl]-5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 42375989
5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 42376608
5-cyclopropyl-1-[4-(2,5-dimethyl-3-thienyl)-2-pyrimidinyl]-N-(2-hydroxy-1,1-dimethylethyl)-1H-pyrazole-4-carboxamide
CID 42418403
1-[4-(2,5-dimethyl-3-thienyl)-2-pyrimidinyl]-N-(1,4-dioxan-2-ylmethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 45167116
5-cyclopropyl-1-[4-(2,5-dimethyl-3-thienyl)-2-pyrimidinyl]-N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 45167434

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide (CID 42398856) is N-cyclohexyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide is COCc1c(C(=O)NC2CCCCC2)cnn1-c1nccc(-c2cc(C)sc2C)n1.
What is the InChIKey of N-cyclohexyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide?
The InChIKey is OIVSTSXGNUBTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-14-11-17(15(2)30-14)19-9-10-23-22(26-19)27-20(13-29-3)18(12-24-27)21(28)25-16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3,(H,25,28).
What are the key properties of N-cyclohexyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide?
N-cyclohexyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42398856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).