2-(4-chloro-3-methylpyrazol-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone

C12H18ClN3O — CID 51390364

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCC[C@@H](C)C2)cc1Cl
InChIInChI=1S/C12H18ClN3O/c1-9-4-3-5-15(6-9)12(17)8-16-7-11(13)10(2)14-16/h7,9H,3-6,8H2,1-2H3/t9-/m1/s1
InChIKeyNUGCQAAWFSKBFV-SECBINFHSA-N
MW255.75 g/mol
LogP2.10
Rot. Bonds2

About 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone

2-(4-chloro-3-methylpyrazol-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone (PubChem CID 51390364) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
PubChem CID51390364
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCC[C@@H](C)C2)cc1Cl
InChIInChI=1S/C12H18ClN3O/c1-9-4-3-5-15(6-9)12(17)8-16-7-11(13)10(2)14-16/h7,9H,3-6,8H2,1-2H3/t9-/m1/s1
InChIKeyNUGCQAAWFSKBFV-SECBINFHSA-N
XLogP2.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone (CID 51390364) is 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone is Cc1nn(CC(=O)N2CCC[C@@H](C)C2)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is NUGCQAAWFSKBFV-SECBINFHSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-9-4-3-5-15(6-9)12(17)8-16-7-11(13)10(2)14-16/h7,9H,3-6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
2-(4-chloro-3-methylpyrazol-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 255.75 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 51390364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).