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

C14H21N5O — CID 124842337

IUPAC(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide
SMILESCc1cc(C)n([C@@H](C)C(=O)N(C)Cc2ncc(C)[nH]2)n1
InChIInChI=1S/C14H21N5O/c1-9-6-11(3)19(17-9)12(4)14(20)18(5)8-13-15-7-10(2)16-13/h6-7,12H,8H2,1-5H3,(H,15,16)/t12-/m0/s1
InChIKeyCALBRGLOOVGDRG-LBPRGKRZSA-N
MW275.36 g/mol
LogP1.75
Rot. Bonds4

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

(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide (PubChem CID 124842337) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide
PubChem CID124842337
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide
SMILESCc1cc(C)n([C@@H](C)C(=O)N(C)Cc2ncc(C)[nH]2)n1
InChIInChI=1S/C14H21N5O/c1-9-6-11(3)19(17-9)12(4)14(20)18(5)8-13-15-7-10(2)16-13/h6-7,12H,8H2,1-5H3,(H,15,16)/t12-/m0/s1
InChIKeyCALBRGLOOVGDRG-LBPRGKRZSA-N
XLogP1.75
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide (CID 124842337) is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide is Cc1cc(C)n([C@@H](C)C(=O)N(C)Cc2ncc(C)[nH]2)n1.
What is the InChIKey of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide?
The InChIKey is CALBRGLOOVGDRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9-6-11(3)19(17-9)12(4)14(20)18(5)8-13-15-7-10(2)16-13/h6-7,12H,8H2,1-5H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide?
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide has a molecular weight of 275.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 124842337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).