(7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C14H23N3O — CID 97382500

IUPAC(7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCOC[C@@H]1CN(CC2CC2)Cc2cn(C)nc21
InChIInChI=1S/C14H23N3O/c1-3-18-10-13-9-17(6-11-4-5-11)8-12-7-16(2)15-14(12)13/h7,11,13H,3-6,8-10H2,1-2H3/t13-/m0/s1
InChIKeyDBQLZFFUHHPVPM-ZDUSSCGKSA-N
MW249.36 g/mol
LogP1.77
Rot. Bonds5

About (7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

(7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 97382500) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name(7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID97382500
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCOC[C@@H]1CN(CC2CC2)Cc2cn(C)nc21
InChIInChI=1S/C14H23N3O/c1-3-18-10-13-9-17(6-11-4-5-11)8-12-7-16(2)15-14(12)13/h7,11,13H,3-6,8-10H2,1-2H3/t13-/m0/s1
InChIKeyDBQLZFFUHHPVPM-ZDUSSCGKSA-N
XLogP1.77
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of (7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 97382500) is (7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for (7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for (7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCOC[C@@H]1CN(CC2CC2)Cc2cn(C)nc21.
What is the InChIKey of (7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is DBQLZFFUHHPVPM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-18-10-13-9-17(6-11-4-5-11)8-12-7-16(2)15-14(12)13/h7,11,13H,3-6,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
(7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 249.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(cyclopropylmethyl)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 97382500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).