(2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine

C17H29N5 — CID 97159520

IUPAC(2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine
SMILESCc1cc(C)n(C[C@@H](C)CN[C@@H](C)Cn2cnc(C)c2C)n1
InChIInChI=1S/C17H29N5/c1-12(9-22-15(4)7-13(2)20-22)8-18-14(3)10-21-11-19-16(5)17(21)6/h7,11-12,14,18H,8-10H2,1-6H3/t12-,14-/m0/s1
InChIKeyBNVGKPKGDSKECI-JSGCOSHPSA-N
MW303.45 g/mol
LogP2.63
Rot. Bonds7

About (2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine

(2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine (PubChem CID 97159520) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine
PubChem CID97159520
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name(2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine
SMILESCc1cc(C)n(C[C@@H](C)CN[C@@H](C)Cn2cnc(C)c2C)n1
InChIInChI=1S/C17H29N5/c1-12(9-22-15(4)7-13(2)20-22)8-18-14(3)10-21-11-19-16(5)17(21)6/h7,11-12,14,18H,8-10H2,1-6H3/t12-,14-/m0/s1
InChIKeyBNVGKPKGDSKECI-JSGCOSHPSA-N
XLogP2.63
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine?
The IUPAC name of (2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine (CID 97159520) is (2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for (2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for (2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine is Cc1cc(C)n(C[C@@H](C)CN[C@@H](C)Cn2cnc(C)c2C)n1.
What is the InChIKey of (2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine?
The InChIKey is BNVGKPKGDSKECI-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H29N5/c1-12(9-22-15(4)7-13(2)20-22)8-18-14(3)10-21-11-19-16(5)17(21)6/h7,11-12,14,18H,8-10H2,1-6H3/t12-,14-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine?
(2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine has a molecular weight of 303.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 97159520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).