3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole

C13H17N3O — CID 157041913

IUPAC3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole
SMILESCc1ccc(C)n1-c1ccn([C@H]2CCOC2)n1
InChIInChI=1S/C13H17N3O/c1-10-3-4-11(2)16(10)13-5-7-15(14-13)12-6-8-17-9-12/h3-5,7,12H,6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyYKMFAACJNZANGG-LBPRGKRZSA-N
MW231.30 g/mol
LogP2.25
Rot. Bonds2

About 3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole

3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole (PubChem CID 157041913) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole
PubChem CID157041913
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole
SMILESCc1ccc(C)n1-c1ccn([C@H]2CCOC2)n1
InChIInChI=1S/C13H17N3O/c1-10-3-4-11(2)16(10)13-5-7-15(14-13)12-6-8-17-9-12/h3-5,7,12H,6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyYKMFAACJNZANGG-LBPRGKRZSA-N
XLogP2.25
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_E(5)', 'substructure': 'N/A'}

Analyze 3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]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-tert-butyl-1-(oxolan-3-yl)pyrazole
CID 130570273
[1-(oxolan-3-yl)pyrazol-3-yl]methanol
CID 168728333
3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole
CID 130570271
1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole
CID 107137610
ethane;4-methyl-1-(oxolan-3-yl)pyrazole
CID 143510060
3-iodo-1-(oxetan-3-yl)pyrazole
CID 67342544
N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine
CID 107137702
2-(6-fluoro-5-methoxy-3-pyridinyl)-4-methyl-6-[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137092662
4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 77449394
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79920836
4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137059226
2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine
CID 139505146

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole (CID 157041913) is 3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole is Cc1ccc(C)n1-c1ccn([C@H]2CCOC2)n1.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole?
The InChIKey is YKMFAACJNZANGG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-3-4-11(2)16(10)13-5-7-15(14-13)12-6-8-17-9-12/h3-5,7,12H,6,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole?
3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole has a molecular weight of 231.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole is sourced from PubChem (CID 157041913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).