(2-methylpyrazol-3-yl)-piperidin-2-ylmethanone

C10H15N3O — CID 116547731

IUPAC(2-methylpyrazol-3-yl)-piperidin-2-ylmethanone
SMILESCn1nccc1C(=O)C1CCCCN1
InChIInChI=1S/C10H15N3O/c1-13-9(5-7-12-13)10(14)8-4-2-3-6-11-8/h5,7-8,11H,2-4,6H2,1H3
InChIKeyNDJKXJNMNPVJHO-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.74
Rot. Bonds2

About (2-methylpyrazol-3-yl)-piperidin-2-ylmethanone

(2-methylpyrazol-3-yl)-piperidin-2-ylmethanone (PubChem CID 116547731) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-piperidin-2-ylmethanone
PubChem CID116547731
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(2-methylpyrazol-3-yl)-piperidin-2-ylmethanone
SMILESCn1nccc1C(=O)C1CCCCN1
InChIInChI=1S/C10H15N3O/c1-13-9(5-7-12-13)10(14)8-4-2-3-6-11-8/h5,7-8,11H,2-4,6H2,1H3
InChIKeyNDJKXJNMNPVJHO-UHFFFAOYSA-N
XLogP0.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-methylpyrazol-3-yl)piperidine-2-carboxamide
CID 94001045
2-(azepan-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
CID 106758315
[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119873977
2-methyl-N-(piperidin-2-ylmethyl)-N-propylpyrazole-3-carboxamide
CID 106625760
(2-methyltriazol-4-yl)-pyrrolidin-2-ylmethanone
CID 130603335
1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione
CID 64868300
[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124696076
(5-aminopyrazol-1-yl)-piperidin-2-ylmethanone
CID 83618037
[(3R,3aS,8aS)-3-phenyl-3,3a,4,5,6,7,8,8a-octahydro-2H-pyrrolo[3,2-b]azepin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110137678
N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide
CID 105059420
(2-methylpyrazol-3-yl)-morpholin-2-ylmethanone
CID 116561589
(4-methyl-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547900

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-piperidin-2-ylmethanone?
The IUPAC name of (2-methylpyrazol-3-yl)-piperidin-2-ylmethanone (CID 116547731) is (2-methylpyrazol-3-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-piperidin-2-ylmethanone is Cn1nccc1C(=O)C1CCCCN1.
What is the InChIKey of (2-methylpyrazol-3-yl)-piperidin-2-ylmethanone?
The InChIKey is NDJKXJNMNPVJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-9(5-7-12-13)10(14)8-4-2-3-6-11-8/h5,7-8,11H,2-4,6H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-piperidin-2-ylmethanone?
(2-methylpyrazol-3-yl)-piperidin-2-ylmethanone has a molecular weight of 193.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 116547731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).