(2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine

C18H23N5 — CID 95293122

IUPAC(2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
SMILESCc1cnn([C@H](C)[C@@H](C)NCc2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C18H23N5/c1-14-10-21-23(12-14)16(3)15(2)20-11-17-4-6-18(7-5-17)22-9-8-19-13-22/h4-10,12-13,15-16,20H,11H2,1-3H3/t15-,16-/m1/s1
InChIKeyBAKLJXSKFJDHHC-HZPDHXFCSA-N
MW309.42 g/mol
LogP3.12
Rot. Bonds6

About (2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine

(2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (PubChem CID 95293122) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is (2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine.

Molecular Properties

Compound Name(2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
PubChem CID95293122
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name(2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
SMILESCc1cnn([C@H](C)[C@@H](C)NCc2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C18H23N5/c1-14-10-21-23(12-14)16(3)15(2)20-11-17-4-6-18(7-5-17)22-9-8-19-13-22/h4-10,12-13,15-16,20H,11H2,1-3H3/t15-,16-/m1/s1
InChIKeyBAKLJXSKFJDHHC-HZPDHXFCSA-N
XLogP3.12
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95286279
4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
CID 95287606
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine
CID 43775713
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 95291194
N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222075
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine
CID 95613951
(2S,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine
CID 95613953
N-[(4-imidazol-1-ylphenyl)methyl]hexan-2-amine
CID 62200953
(1S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)-1-phenylmethanamine
CID 9113084
N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 86854994
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640008

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine?
The IUPAC name of (2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (CID 95293122) is (2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine.
What is the SMILES notation for (2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine?
The canonical SMILES for (2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine is Cc1cnn([C@H](C)[C@@H](C)NCc2ccc(-n3ccnc3)cc2)c1.
What is the InChIKey of (2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine?
The InChIKey is BAKLJXSKFJDHHC-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H23N5/c1-14-10-21-23(12-14)16(3)15(2)20-11-17-4-6-18(7-5-17)22-9-8-19-13-22/h4-10,12-13,15-16,20H,11H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine?
(2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine has a molecular weight of 309.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine is sourced from PubChem (CID 95293122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).