N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H27N5O — CID 91923838

IUPACN-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCCc1ncc(C)n1C1CC1
InChIInChI=1S/C18H27N5O/c1-12-11-20-17(23(12)15-5-6-15)9-10-19-18(24)8-7-16-13(2)21-22(4)14(16)3/h11,15H,5-10H2,1-4H3,(H,19,24)
InChIKeyICQCHVXATKOFOK-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.17
Rot. Bonds7

About N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 91923838) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID91923838
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCCc1ncc(C)n1C1CC1
InChIInChI=1S/C18H27N5O/c1-12-11-20-17(23(12)15-5-6-15)9-10-19-18(24)8-7-16-13(2)21-22(4)14(16)3/h11,15H,5-10H2,1-4H3,(H,19,24)
InChIKeyICQCHVXATKOFOK-UHFFFAOYSA-N
XLogP2.17
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 91923838) is N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCCc1ncc(C)n1C1CC1.
What is the InChIKey of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is ICQCHVXATKOFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-12-11-20-17(23(12)15-5-6-15)9-10-19-18(24)8-7-16-13(2)21-22(4)14(16)3/h11,15H,5-10H2,1-4H3,(H,19,24).
What are the key properties of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 329.45 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 91923838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).