3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide

C17H24N4O — CID 49030606

IUPAC3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCCCN(CCc1ccccn1)C(=O)CCc1cnn(C)c1
InChIInChI=1S/C17H24N4O/c1-3-11-21(12-9-16-6-4-5-10-18-16)17(22)8-7-15-13-19-20(2)14-15/h4-6,10,13-14H,3,7-9,11-12H2,1-2H3
InChIKeyCSVRWAMIYJYMHH-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.23
Rot. Bonds8

About 3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide

3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 49030606) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID49030606
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCCCN(CCc1ccccn1)C(=O)CCc1cnn(C)c1
InChIInChI=1S/C17H24N4O/c1-3-11-21(12-9-16-6-4-5-10-18-16)17(22)8-7-15-13-19-20(2)14-15/h4-6,10,13-14H,3,7-9,11-12H2,1-2H3
InChIKeyCSVRWAMIYJYMHH-UHFFFAOYSA-N
XLogP2.23
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide (CID 49030606) is 3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide is CCCN(CCc1ccccn1)C(=O)CCc1cnn(C)c1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is CSVRWAMIYJYMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-11-21(12-9-16-6-4-5-10-18-16)17(22)8-7-15-13-19-20(2)14-15/h4-6,10,13-14H,3,7-9,11-12H2,1-2H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide?
3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 300.41 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 49030606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).