3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide

C18H21N5O — CID 166268614

IUPAC3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide
SMILESCc1ccn(-c2ccc(NC(=O)CCc3nc(C)c(C)[nH]3)cc2)n1
InChIInChI=1S/C18H21N5O/c1-12-10-11-23(22-12)16-6-4-15(5-7-16)21-18(24)9-8-17-19-13(2)14(3)20-17/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)(H,21,24)
InChIKeyIHYLOHSKYXUQGQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.09
Rot. Bonds5

About 3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide

3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide (PubChem CID 166268614) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide
PubChem CID166268614
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide
SMILESCc1ccn(-c2ccc(NC(=O)CCc3nc(C)c(C)[nH]3)cc2)n1
InChIInChI=1S/C18H21N5O/c1-12-10-11-23(22-12)16-6-4-15(5-7-16)21-18(24)9-8-17-19-13(2)14(3)20-17/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)(H,21,24)
InChIKeyIHYLOHSKYXUQGQ-UHFFFAOYSA-N
XLogP3.09
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide (CID 166268614) is 3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide is Cc1ccn(-c2ccc(NC(=O)CCc3nc(C)c(C)[nH]3)cc2)n1.
What is the InChIKey of 3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide?
The InChIKey is IHYLOHSKYXUQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-10-11-23(22-12)16-6-4-15(5-7-16)21-18(24)9-8-17-19-13(2)14(3)20-17/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)(H,21,24).
What are the key properties of 3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide?
3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide has a molecular weight of 323.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 166268614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).