5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide

C21H25N5O2S — CID 42418403

IUPAC5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide
SMILESCc1cc(-c2ccnc(-n3ncc(C(=O)NC(C)(C)CO)c3C3CC3)n2)c(C)s1
InChIInChI=1S/C21H25N5O2S/c1-12-9-15(13(2)29-12)17-7-8-22-20(24-17)26-18(14-5-6-14)16(10-23-26)19(28)25-21(3,4)11-27/h7-10,14,27H,5-6,11H2,1-4H3,(H,25,28)
InChIKeyFMTZSEXUUFFAAA-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.39
Rot. Bonds6

About 5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide

5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide (PubChem CID 42418403) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide
PubChem CID42418403
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide
SMILESCc1cc(-c2ccnc(-n3ncc(C(=O)NC(C)(C)CO)c3C3CC3)n2)c(C)s1
InChIInChI=1S/C21H25N5O2S/c1-12-9-15(13(2)29-12)17-7-8-22-20(24-17)26-18(14-5-6-14)16(10-23-26)19(28)25-21(3,4)11-27/h7-10,14,27H,5-6,11H2,1-4H3,(H,25,28)
InChIKeyFMTZSEXUUFFAAA-UHFFFAOYSA-N
XLogP3.39
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[[[5-Butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]amino]methyl]imidazol-1-yl]acetic acid
CID 67391041
US10100058, Example 229
CID 134539886
N-[3-[3-(2-Thienylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}-cyclopropanecarboxamide
CID 20210634
5-butyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 60207837
N-hydroxy-5-(1-(2-((2-phenylpyrimidin-5-yl)methylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418122
5-butyl-N-[(2-methylpyrazol-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 72163264
5-ethyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 72163408
1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-5-propyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 72163409
1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-5-pentyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 72163554
1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-5-propyl-N-(2-pyridin-4-ylpropan-2-yl)pyrazole-4-carboxamide
CID 72165041
N-[3-[3-(5-methylthiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide
CID 44430778
US10100058, Example 199
CID 134539470

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide (CID 42418403) is 5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide is Cc1cc(-c2ccnc(-n3ncc(C(=O)NC(C)(C)CO)c3C3CC3)n2)c(C)s1.
What is the InChIKey of 5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide?
The InChIKey is FMTZSEXUUFFAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-12-9-15(13(2)29-12)17-7-8-22-20(24-17)26-18(14-5-6-14)16(10-23-26)19(28)25-21(3,4)11-27/h7-10,14,27H,5-6,11H2,1-4H3,(H,25,28).
What are the key properties of 5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide?
5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 42418403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).