N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

C15H23N5O — CID 90652729

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1cnc(CN(C)C(=O)CCn2nc(C)c(C)c2C)[nH]1
InChIInChI=1S/C15H23N5O/c1-10-8-16-14(17-10)9-19(5)15(21)6-7-20-13(4)11(2)12(3)18-20/h8H,6-7,9H2,1-5H3,(H,16,17)
InChIKeyNKYKAKAHENOOKV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.89
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 90652729) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID90652729
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1cnc(CN(C)C(=O)CCn2nc(C)c(C)c2C)[nH]1
InChIInChI=1S/C15H23N5O/c1-10-8-16-14(17-10)9-19(5)15(21)6-7-20-13(4)11(2)12(3)18-20/h8H,6-7,9H2,1-5H3,(H,16,17)
InChIKeyNKYKAKAHENOOKV-UHFFFAOYSA-N
XLogP1.89
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 90652729) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1cnc(CN(C)C(=O)CCn2nc(C)c(C)c2C)[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is NKYKAKAHENOOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10-8-16-14(17-10)9-19(5)15(21)6-7-20-13(4)11(2)12(3)18-20/h8H,6-7,9H2,1-5H3,(H,16,17).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 90652729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).