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

C16H27N3O2 — CID 146115242

IUPAC(5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCC(C)CN(C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C)C(C)C
InChIInChI=1S/C16H27N3O2/c1-9(2)8-19(10(3)4)16(20)15-13-7-11(5)21-12(6)14(13)17-18-15/h9-12H,7-8H2,1-6H3,(H,17,18)/t11-,12+/m0/s1
InChIKeyMBTAYQKOLNJJCZ-NWDGAFQWSA-N
MW293.41 g/mol
LogP2.94
Rot. Bonds4

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

(5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146115242) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146115242
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCC(C)CN(C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C)C(C)C
InChIInChI=1S/C16H27N3O2/c1-9(2)8-19(10(3)4)16(20)15-13-7-11(5)21-12(6)14(13)17-18-15/h9-12H,7-8H2,1-6H3,(H,17,18)/t11-,12+/m0/s1
InChIKeyMBTAYQKOLNJJCZ-NWDGAFQWSA-N
XLogP2.94
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146115242) is (5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is CC(C)CN(C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C)C(C)C.
What is the InChIKey of (5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is MBTAYQKOLNJJCZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-9(2)8-19(10(3)4)16(20)15-13-7-11(5)21-12(6)14(13)17-18-15/h9-12H,7-8H2,1-6H3,(H,17,18)/t11-,12+/m0/s1.
What are the key properties of (5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146115242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).