3-tert-butyl-1-methyl-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]pyrazole-5-carboxamide

C23H32N6O — CID 98066061

IUPAC3-tert-butyl-1-methyl-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]pyrazole-5-carboxamide
SMILESCc1cc2nccc(C3CCC(CNC(=O)c4cc(C(C)(C)C)nn4C)CC3)n2n1
InChIInChI=1S/C23H32N6O/c1-15-12-21-24-11-10-18(29(21)26-15)17-8-6-16(7-9-17)14-25-22(30)19-13-20(23(2,3)4)27-28(19)5/h10-13,16-17H,6-9,14H2,1-5H3,(H,25,30)
InChIKeyIHEAXUGUJVZJHL-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.77
Rot. Bonds4

About 3-tert-butyl-1-methyl-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]pyrazole-5-carboxamide

3-tert-butyl-1-methyl-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]pyrazole-5-carboxamide (PubChem CID 98066061) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]pyrazole-5-carboxamide
PubChem CID98066061
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name3-tert-butyl-1-methyl-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]pyrazole-5-carboxamide
SMILESCc1cc2nccc(C3CCC(CNC(=O)c4cc(C(C)(C)C)nn4C)CC3)n2n1
InChIInChI=1S/C23H32N6O/c1-15-12-21-24-11-10-18(29(21)26-15)17-8-6-16(7-9-17)14-25-22(30)19-13-20(23(2,3)4)27-28(19)5/h10-13,16-17H,6-9,14H2,1-5H3,(H,25,30)
InChIKeyIHEAXUGUJVZJHL-UHFFFAOYSA-N
XLogP3.77
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-1-methyl-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]pyrazole-5-carboxamide (CID 98066061) is 3-tert-butyl-1-methyl-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-1-methyl-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-1-methyl-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]pyrazole-5-carboxamide is Cc1cc2nccc(C3CCC(CNC(=O)c4cc(C(C)(C)C)nn4C)CC3)n2n1.
What is the InChIKey of 3-tert-butyl-1-methyl-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]pyrazole-5-carboxamide?
The InChIKey is IHEAXUGUJVZJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-15-12-21-24-11-10-18(29(21)26-15)17-8-6-16(7-9-17)14-25-22(30)19-13-20(23(2,3)4)27-28(19)5/h10-13,16-17H,6-9,14H2,1-5H3,(H,25,30).
What are the key properties of 3-tert-butyl-1-methyl-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]pyrazole-5-carboxamide?
3-tert-butyl-1-methyl-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]pyrazole-5-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 98066061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).