(5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

C15H23N3O3 — CID 146077013

IUPAC(5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOCC1(NC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)CC1
InChIInChI=1S/C15H23N3O3/c1-9-7-11-12(17-18(3)13(11)10(2)21-9)14(19)16-15(5-6-15)8-20-4/h9-10H,5-8H2,1-4H3,(H,16,19)/t9-,10+/m0/s1
InChIKeyOQJIVTYXNARAPI-VHSXEESVSA-N
MW293.37 g/mol
LogP1.35
Rot. Bonds4

About (5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

(5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146077013) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146077013
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOCC1(NC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)CC1
InChIInChI=1S/C15H23N3O3/c1-9-7-11-12(17-18(3)13(11)10(2)21-9)14(19)16-15(5-6-15)8-20-4/h9-10H,5-8H2,1-4H3,(H,16,19)/t9-,10+/m0/s1
InChIKeyOQJIVTYXNARAPI-VHSXEESVSA-N
XLogP1.35
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (CID 146077013) is (5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is COCC1(NC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)CC1.
What is the InChIKey of (5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is OQJIVTYXNARAPI-VHSXEESVSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9-7-11-12(17-18(3)13(11)10(2)21-9)14(19)16-15(5-6-15)8-20-4/h9-10H,5-8H2,1-4H3,(H,16,19)/t9-,10+/m0/s1.
What are the key properties of (5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
(5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-[1-(methoxymethyl)cyclopropyl]-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146077013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).