(2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine

C19H25N5O — CID 95276258

IUPAC(2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@H]([C@@H](C)NCc1ccc(OCc2nccn2C)cc1)n1cccn1
InChIInChI=1S/C19H25N5O/c1-15(16(2)24-11-4-9-22-24)21-13-17-5-7-18(8-6-17)25-14-19-20-10-12-23(19)3/h4-12,15-16,21H,13-14H2,1-3H3/t15-,16-/m1/s1
InChIKeyNMTLQSINJOIQEY-HZPDHXFCSA-N
MW339.44 g/mol
LogP2.93
Rot. Bonds8

About (2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine

(2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine (PubChem CID 95276258) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine
PubChem CID95276258
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@H]([C@@H](C)NCc1ccc(OCc2nccn2C)cc1)n1cccn1
InChIInChI=1S/C19H25N5O/c1-15(16(2)24-11-4-9-22-24)21-13-17-5-7-18(8-6-17)25-14-19-20-10-12-23(19)3/h4-12,15-16,21H,13-14H2,1-3H3/t15-,16-/m1/s1
InChIKeyNMTLQSINJOIQEY-HZPDHXFCSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine with MolForge

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Related Compounds

(2S,3R)-3-pyrazol-1-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]butan-2-amine
CID 95279915
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
(2S,3S)-3-pyrazol-1-yl-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95277106
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793
(2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290592
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 75427713
2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetonitrile
CID 43144039
2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
CID 42962680
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
(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 95274019

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine (CID 95276258) is (2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine is C[C@H]([C@@H](C)NCc1ccc(OCc2nccn2C)cc1)n1cccn1.
What is the InChIKey of (2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine?
The InChIKey is NMTLQSINJOIQEY-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15(16(2)24-11-4-9-22-24)21-13-17-5-7-18(8-6-17)25-14-19-20-10-12-23(19)3/h4-12,15-16,21H,13-14H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine?
(2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine has a molecular weight of 339.44 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 95276258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).