1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide

C19H23N5O2S — CID 42364553

IUPAC1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide
SMILESCOCCN(C)C(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C
InChIInChI=1S/C19H23N5O2S/c1-12-10-15(14(3)27-12)17-6-7-20-19(22-17)24-13(2)16(11-21-24)18(25)23(4)8-9-26-5/h6-7,10-11H,8-9H2,1-5H3
InChIKeyFDBNUKHNFASISF-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.03
Rot. Bonds6

About 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide

1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide (PubChem CID 42364553) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide
PubChem CID42364553
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide
SMILESCOCCN(C)C(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C
InChIInChI=1S/C19H23N5O2S/c1-12-10-15(14(3)27-12)17-6-7-20-19(22-17)24-13(2)16(11-21-24)18(25)23(4)8-9-26-5/h6-7,10-11H,8-9H2,1-5H3
InChIKeyFDBNUKHNFASISF-UHFFFAOYSA-N
XLogP3.03
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide with MolForge

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Related Compounds

Indiplon
CID 6450813
5-butyl-N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 72165163
5-butyl-N-[(3,5-dimethylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 72165165
(1-Phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
CID 2999538
N-(2-fluoroethyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
CID 44452549
5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 60207837
5-butyl-N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 60207843
5-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 67390737
N-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
CID 24873520
N-ethyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide
CID 44390181
N-(3-fluoropropyl)-2-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide
CID 44452463
N-(3-fluoropropyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]propanamide
CID 44452481

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide (CID 42364553) is 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide is COCCN(C)C(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C.
What is the InChIKey of 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide?
The InChIKey is FDBNUKHNFASISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-12-10-15(14(3)27-12)17-6-7-20-19(22-17)24-13(2)16(11-21-24)18(25)23(4)8-9-26-5/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide?
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.03, 6 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]-N-(2-methoxyethyl)-N,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 42364553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).