3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

C11H17N3O — CID 83848457

IUPAC3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESC1CNC(Cc2n[nH]c3c2COCC3)C1
InChIInChI=1S/C11H17N3O/c1-2-8(12-4-1)6-11-9-7-15-5-3-10(9)13-14-11/h8,12H,1-7H2,(H,13,14)
InChIKeyJEGOVEGKFZGVJU-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.78
Rot. Bonds2

About 3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (PubChem CID 83848457) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
PubChem CID83848457
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESC1CNC(Cc2n[nH]c3c2COCC3)C1
InChIInChI=1S/C11H17N3O/c1-2-8(12-4-1)6-11-9-7-15-5-3-10(9)13-14-11/h8,12H,1-7H2,(H,13,14)
InChIKeyJEGOVEGKFZGVJU-UHFFFAOYSA-N
XLogP0.78
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pyrrolidin-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 83847308
3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498684
2-(piperidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 105499265
N-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine
CID 83862575
4-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 83848148
2-(piperidin-2-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
CID 105493342
N-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine
CID 83841695
2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide
CID 167904651
8-(pyrrolidin-2-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 117407341
3-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]morpholine
CID 83858621
3-chloro-5-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole
CID 84660804
5-(pyrrolidin-2-ylmethyl)-2H-tetrazole
CID 53421238

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The IUPAC name of 3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (CID 83848457) is 3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The canonical SMILES for 3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is C1CNC(Cc2n[nH]c3c2COCC3)C1.
What is the InChIKey of 3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The InChIKey is JEGOVEGKFZGVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-8(12-4-1)6-11-9-7-15-5-3-10(9)13-14-11/h8,12H,1-7H2,(H,13,14).
What are the key properties of 3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole has a molecular weight of 207.28 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-2-ylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is sourced from PubChem (CID 83848457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).