(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine

C14H23N5 — CID 164637404

IUPAC(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine
SMILESCc1cc(C)n(C[C@H](C)N(C)Cc2ncc(C)[nH]2)n1
InChIInChI=1S/C14H23N5/c1-10-6-12(3)19(17-10)8-13(4)18(5)9-14-15-7-11(2)16-14/h6-7,13H,8-9H2,1-5H3,(H,15,16)/t13-/m0/s1
InChIKeyZGNYLNZEDAGULW-ZDUSSCGKSA-N
MW261.37 g/mol
LogP2.05
Rot. Bonds5

About (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine

(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine (PubChem CID 164637404) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine
PubChem CID164637404
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine
SMILESCc1cc(C)n(C[C@H](C)N(C)Cc2ncc(C)[nH]2)n1
InChIInChI=1S/C14H23N5/c1-10-6-12(3)19(17-10)8-13(4)18(5)9-14-15-7-11(2)16-14/h6-7,13H,8-9H2,1-5H3,(H,15,16)/t13-/m0/s1
InChIKeyZGNYLNZEDAGULW-ZDUSSCGKSA-N
XLogP2.05
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine?
The IUPAC name of (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine (CID 164637404) is (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine is Cc1cc(C)n(C[C@H](C)N(C)Cc2ncc(C)[nH]2)n1.
What is the InChIKey of (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine?
The InChIKey is ZGNYLNZEDAGULW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N5/c1-10-6-12(3)19(17-10)8-13(4)18(5)9-14-15-7-11(2)16-14/h6-7,13H,8-9H2,1-5H3,(H,15,16)/t13-/m0/s1.
What are the key properties of (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine?
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 164637404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).