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

C25H27N5O2S — CID 26397232

IUPAC1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)N(C)CCc2ccccc2)cnn1-c1nccc(-c2cc(C)sc2C)n1
InChIInChI=1S/C25H27N5O2S/c1-17-14-20(18(2)33-17)22-10-12-26-25(28-22)30-23(16-32-4)21(15-27-30)24(31)29(3)13-11-19-8-6-5-7-9-19/h5-10,12,14-15H,11,13,16H2,1-4H3
InChIKeyVLLXFZFUBHGITR-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.47
Rot. Bonds8

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

1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide (PubChem CID 26397232) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
PubChem CID26397232
Molecular FormulaC25H27N5O2S
Molecular Weight461.59 g/mol
Exact Mass461.19
IUPAC Name1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)N(C)CCc2ccccc2)cnn1-c1nccc(-c2cc(C)sc2C)n1
InChIInChI=1S/C25H27N5O2S/c1-17-14-20(18(2)33-17)22-10-12-26-25(28-22)30-23(16-32-4)21(15-27-30)24(31)29(3)13-11-19-8-6-5-7-9-19/h5-10,12,14-15H,11,13,16H2,1-4H3
InChIKeyVLLXFZFUBHGITR-UHFFFAOYSA-N
XLogP4.47
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 118756483
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide
CID 45191257
[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 42359038
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide
CID 26360779
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide
CID 26351023
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-hydroxy-2-phenylethyl)-N,5-dimethylpyrazole-4-carboxamide
CID 45165677
[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 26399593
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide
CID 26322489
5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
CID 42375927
ethyl 3-[[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]propanoate
CID 26337146
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(dimethylamino)propyl]-5-(methoxymethyl)-N-methylpyrazole-4-carboxamide
CID 26401380
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 42361099

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide (CID 26397232) is 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide is COCc1c(C(=O)N(C)CCc2ccccc2)cnn1-c1nccc(-c2cc(C)sc2C)n1.
What is the InChIKey of 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The InChIKey is VLLXFZFUBHGITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S/c1-17-14-20(18(2)33-17)22-10-12-26-25(28-22)30-23(16-32-4)21(15-27-30)24(31)29(3)13-11-19-8-6-5-7-9-19/h5-10,12,14-15H,11,13,16H2,1-4H3.
What are the key properties of 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 26397232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).