6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C20H24N6O — CID 139360348

IUPAC6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCC1CCc2c(C(=O)Nc3cccc([C@H](C)Cc4nncn4C)c3)n[nH]c21
InChIInChI=1S/C20H24N6O/c1-12-7-8-16-18(12)24-25-19(16)20(27)22-15-6-4-5-14(10-15)13(2)9-17-23-21-11-26(17)3/h4-6,10-13H,7-9H2,1-3H3,(H,22,27)(H,24,25)/t12?,13-/m1/s1
InChIKeyOYWAMANBLZESLI-ZGTCLIOFSA-N
MW364.45 g/mol
LogP3.19
Rot. Bonds5

About 6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 139360348) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID139360348
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCC1CCc2c(C(=O)Nc3cccc([C@H](C)Cc4nncn4C)c3)n[nH]c21
InChIInChI=1S/C20H24N6O/c1-12-7-8-16-18(12)24-25-19(16)20(27)22-15-6-4-5-14(10-15)13(2)9-17-23-21-11-26(17)3/h4-6,10-13H,7-9H2,1-3H3,(H,22,27)(H,24,25)/t12?,13-/m1/s1
InChIKeyOYWAMANBLZESLI-ZGTCLIOFSA-N
XLogP3.19
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 139360348) is 6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CC1CCc2c(C(=O)Nc3cccc([C@H](C)Cc4nncn4C)c3)n[nH]c21.
What is the InChIKey of 6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is OYWAMANBLZESLI-ZGTCLIOFSA-N. The full InChI is InChI=1S/C20H24N6O/c1-12-7-8-16-18(12)24-25-19(16)20(27)22-15-6-4-5-14(10-15)13(2)9-17-23-21-11-26(17)3/h4-6,10-13H,7-9H2,1-3H3,(H,22,27)(H,24,25)/t12?,13-/m1/s1.
What are the key properties of 6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 139360348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).