[1-[(R)-[(3-methoxy-2-methylphenyl)methylamino]-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol

C19H27N3O2 — CID 164631029

IUPAC[1-[(R)-[(3-methoxy-2-methylphenyl)methylamino]-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol
SMILESCOc1cccc(CN[C@H](c2cnn(C)c2)C2(CO)CCC2)c1C
InChIInChI=1S/C19H27N3O2/c1-14-15(6-4-7-17(14)24-3)10-20-18(16-11-21-22(2)12-16)19(13-23)8-5-9-19/h4,6-7,11-12,18,20,23H,5,8-10,13H2,1-3H3/t18-/m1/s1
InChIKeyLGFATVUOMKVMDL-GOSISDBHSA-N
MW329.44 g/mol
LogP2.73
Rot. Bonds7

About [1-[(R)-[(3-methoxy-2-methylphenyl)methylamino]-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol

[1-[(R)-[(3-methoxy-2-methylphenyl)methylamino]-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol (PubChem CID 164631029) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [1-[(R)-[(3-methoxy-2-methylphenyl)methylamino]-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(R)-[(3-methoxy-2-methylphenyl)methylamino]-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol
PubChem CID164631029
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name[1-[(R)-[(3-methoxy-2-methylphenyl)methylamino]-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol
SMILESCOc1cccc(CN[C@H](c2cnn(C)c2)C2(CO)CCC2)c1C
InChIInChI=1S/C19H27N3O2/c1-14-15(6-4-7-17(14)24-3)10-20-18(16-11-21-22(2)12-16)19(13-23)8-5-9-19/h4,6-7,11-12,18,20,23H,5,8-10,13H2,1-3H3/t18-/m1/s1
InChIKeyLGFATVUOMKVMDL-GOSISDBHSA-N
XLogP2.73
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(R)-[(3-methoxy-2-methylphenyl)methylamino]-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(R)-[(3-methoxy-2-methylphenyl)methylamino]-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol (CID 164631029) is [1-[(R)-[(3-methoxy-2-methylphenyl)methylamino]-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(R)-[(3-methoxy-2-methylphenyl)methylamino]-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(R)-[(3-methoxy-2-methylphenyl)methylamino]-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol is COc1cccc(CN[C@H](c2cnn(C)c2)C2(CO)CCC2)c1C.
What is the InChIKey of [1-[(R)-[(3-methoxy-2-methylphenyl)methylamino]-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol?
The InChIKey is LGFATVUOMKVMDL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-15(6-4-7-17(14)24-3)10-20-18(16-11-21-22(2)12-16)19(13-23)8-5-9-19/h4,6-7,11-12,18,20,23H,5,8-10,13H2,1-3H3/t18-/m1/s1.
What are the key properties of [1-[(R)-[(3-methoxy-2-methylphenyl)methylamino]-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol?
[1-[(R)-[(3-methoxy-2-methylphenyl)methylamino]-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol has a molecular weight of 329.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(R)-[(3-methoxy-2-methylphenyl)methylamino]-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 164631029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).