(2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine

C19H25N5O — CID 95290592

IUPAC(2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
SMILESCc1cnn(C[C@@H](C)NCc2ccc(OCc3nccn3C)cc2)c1
InChIInChI=1S/C19H25N5O/c1-15-10-22-24(12-15)13-16(2)21-11-17-4-6-18(7-5-17)25-14-19-20-8-9-23(19)3/h4-10,12,16,21H,11,13-14H2,1-3H3/t16-/m1/s1
InChIKeyVZOJCYIRQKOSGM-MRXNPFEDSA-N
MW339.44 g/mol
LogP2.68
Rot. Bonds8

About (2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine

(2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (PubChem CID 95290592) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
PubChem CID95290592
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
SMILESCc1cnn(C[C@@H](C)NCc2ccc(OCc3nccn3C)cc2)c1
InChIInChI=1S/C19H25N5O/c1-15-10-22-24(12-15)13-16(2)21-11-17-4-6-18(7-5-17)25-14-19-20-8-9-23(19)3/h4-10,12,16,21H,11,13-14H2,1-3H3/t16-/m1/s1
InChIKeyVZOJCYIRQKOSGM-MRXNPFEDSA-N
XLogP2.68
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276258
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 75427713
N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447636
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793
(2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95287009
2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
CID 42962680
4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol
CID 56796537
N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60880817
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435056

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The IUPAC name of (2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (CID 95290592) is (2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for (2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine is Cc1cnn(C[C@@H](C)NCc2ccc(OCc3nccn3C)cc2)c1.
What is the InChIKey of (2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The InChIKey is VZOJCYIRQKOSGM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15-10-22-24(12-15)13-16(2)21-11-17-4-6-18(7-5-17)25-14-19-20-8-9-23(19)3/h4-10,12,16,21H,11,13-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
(2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine has a molecular weight of 339.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 95290592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).