2-imidazol-1-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide

C12H17N5O — CID 45210757

IUPAC2-imidazol-1-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)n1ccnc1)c1cnn(C)c1
InChIInChI=1S/C12H17N5O/c1-9(11-6-14-16(3)7-11)15-12(18)10(2)17-5-4-13-8-17/h4-10H,1-3H3,(H,15,18)
InChIKeySITFHXJFFRQTFF-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.05
Rot. Bonds4

About 2-imidazol-1-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide

2-imidazol-1-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide (PubChem CID 45210757) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide
PubChem CID45210757
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-imidazol-1-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)n1ccnc1)c1cnn(C)c1
InChIInChI=1S/C12H17N5O/c1-9(11-6-14-16(3)7-11)15-12(18)10(2)17-5-4-13-8-17/h4-10H,1-3H3,(H,15,18)
InChIKeySITFHXJFFRQTFF-UHFFFAOYSA-N
XLogP1.05
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 2-imidazol-1-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide (CID 45210757) is 2-imidazol-1-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2-imidazol-1-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide is CC(NC(=O)C(C)n1ccnc1)c1cnn(C)c1.
What is the InChIKey of 2-imidazol-1-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is SITFHXJFFRQTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(11-6-14-16(3)7-11)15-12(18)10(2)17-5-4-13-8-17/h4-10H,1-3H3,(H,15,18).
What are the key properties of 2-imidazol-1-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide?
2-imidazol-1-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 247.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 45210757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).