(5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

C14H20N6O2 — CID 146115146

IUPAC(5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCCn1cnnc1CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C
InChIInChI=1S/C14H20N6O2/c1-4-20-7-16-17-11(20)6-15-14(21)13-10-5-8(2)22-9(3)12(10)18-19-13/h7-9H,4-6H2,1-3H3,(H,15,21)(H,18,19)/t8-,9+/m0/s1
InChIKeyUJCBRMXHDGWEKR-DTWKUNHWSA-N
MW304.35 g/mol
LogP0.97
Rot. Bonds4

About (5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

(5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146115146) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146115146
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name(5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCCn1cnnc1CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C
InChIInChI=1S/C14H20N6O2/c1-4-20-7-16-17-11(20)6-15-14(21)13-10-5-8(2)22-9(3)12(10)18-19-13/h7-9H,4-6H2,1-3H3,(H,15,21)(H,18,19)/t8-,9+/m0/s1
InChIKeyUJCBRMXHDGWEKR-DTWKUNHWSA-N
XLogP0.97
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146115146) is (5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is CCn1cnnc1CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C.
What is the InChIKey of (5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is UJCBRMXHDGWEKR-DTWKUNHWSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-4-20-7-16-17-11(20)6-15-14(21)13-10-5-8(2)22-9(3)12(10)18-19-13/h7-9H,4-6H2,1-3H3,(H,15,21)(H,18,19)/t8-,9+/m0/s1.
What are the key properties of (5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146115146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).