2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline

C14H17N3O2 — CID 170965371

IUPAC2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline
SMILESCOc1c(N)cccc1-c1cnn([C@@H]2CCOC2)c1
InChIInChI=1S/C14H17N3O2/c1-18-14-12(3-2-4-13(14)15)10-7-16-17(8-10)11-5-6-19-9-11/h2-4,7-8,11H,5-6,9,15H2,1H3/t11-/m1/s1
InChIKeyKQMSVVUMVMXNFN-LLVKDONJSA-N
MW259.31 g/mol
LogP2.10
Rot. Bonds3

About 2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline

2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline (PubChem CID 170965371) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline.

Molecular Properties

Compound Name2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline
PubChem CID170965371
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline
SMILESCOc1c(N)cccc1-c1cnn([C@@H]2CCOC2)c1
InChIInChI=1S/C14H17N3O2/c1-18-14-12(3-2-4-13(14)15)10-7-16-17(8-10)11-5-6-19-9-11/h2-4,7-8,11H,5-6,9,15H2,1H3/t11-/m1/s1
InChIKeyKQMSVVUMVMXNFN-LLVKDONJSA-N
XLogP2.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-[2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170966081
2-methoxy-3-[1-[(3R,4S)-5-oxaspiro[3.5]non-8-en-3-yl]pyrazol-4-yl]aniline
CID 170965967
5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 67224091
1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen
CID 167485845
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170965738
2-(1-cycloheptylpyrazol-4-yl)aniline
CID 82927063
ethane;4-methyl-1-(oxolan-3-yl)pyrazole
CID 143510060
3-[5-ethyl-1-(oxan-4-yl)pyrazol-3-yl]-2-methoxyaniline
CID 174199930
3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine
CID 58179673
2-methoxy-3-[1-methyl-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-triazol-3-yl]aniline
CID 168868158
3-(4-phenylpyrazol-1-yl)oxan-4-amine
CID 62772194
4-ethyl-1-(oxolan-3-yl)pyrazole
CID 84731626

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline?
The IUPAC name of 2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline (CID 170965371) is 2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline.
What is the SMILES notation for 2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline?
The canonical SMILES for 2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline is COc1c(N)cccc1-c1cnn([C@@H]2CCOC2)c1.
What is the InChIKey of 2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline?
The InChIKey is KQMSVVUMVMXNFN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-14-12(3-2-4-13(14)15)10-7-16-17(8-10)11-5-6-19-9-11/h2-4,7-8,11H,5-6,9,15H2,1H3/t11-/m1/s1.
What are the key properties of 2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline?
2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline has a molecular weight of 259.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]aniline is sourced from PubChem (CID 170965371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).