3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide

C16H27ClN4O — CID 46971806

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
SMILESCc1nn(CCC(=O)NCCN2CCC(C)CC2)c(C)c1Cl
InChIInChI=1S/C16H27ClN4O/c1-12-4-8-20(9-5-12)11-7-18-15(22)6-10-21-14(3)16(17)13(2)19-21/h12H,4-11H2,1-3H3,(H,18,22)
InChIKeyNQRDWHDBBCBVLD-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.39
Rot. Bonds6

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide (PubChem CID 46971806) has the molecular formula C16H27ClN4O and a molecular weight of 326.87 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
PubChem CID46971806
Molecular FormulaC16H27ClN4O
Molecular Weight326.87 g/mol
Exact Mass326.19
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
SMILESCc1nn(CCC(=O)NCCN2CCC(C)CC2)c(C)c1Cl
InChIInChI=1S/C16H27ClN4O/c1-12-4-8-20(9-5-12)11-7-18-15(22)6-10-21-14(3)16(17)13(2)19-21/h12H,4-11H2,1-3H3,(H,18,22)
InChIKeyNQRDWHDBBCBVLD-UHFFFAOYSA-N
XLogP2.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide (CID 46971806) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide is Cc1nn(CCC(=O)NCCN2CCC(C)CC2)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide?
The InChIKey is NQRDWHDBBCBVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4O/c1-12-4-8-20(9-5-12)11-7-18-15(22)6-10-21-14(3)16(17)13(2)19-21/h12H,4-11H2,1-3H3,(H,18,22).
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide has a molecular weight of 326.87 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 46971806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).