(1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone

C13H21N3O — CID 19575922

IUPAC(1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCCn1cc(C(=O)N2CCCC(C)C2)c(C)n1
InChIInChI=1S/C13H21N3O/c1-4-16-9-12(11(3)14-16)13(17)15-7-5-6-10(2)8-15/h9-10H,4-8H2,1-3H3
InChIKeyHULBBYRNEHKHII-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.08
Rot. Bonds2

About (1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone

(1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 19575922) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID19575922
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCCn1cc(C(=O)N2CCCC(C)C2)c(C)n1
InChIInChI=1S/C13H21N3O/c1-4-16-9-12(11(3)14-16)13(17)15-7-5-6-10(2)8-15/h9-10H,4-8H2,1-3H3
InChIKeyHULBBYRNEHKHII-UHFFFAOYSA-N
XLogP2.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethyl-3-methylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 82509456
1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile
CID 72939176
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
4-[(3R)-1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97205329
4-[(3S)-1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97205330
(1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 35522197
[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
CID 124948490
5-ethyl-3-[(3R)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 51594316
(1-ethyl-3-methylpyrazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97205511
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 66123272
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
CID 19478103
(4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 132586470

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone (CID 19575922) is (1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone is CCn1cc(C(=O)N2CCCC(C)C2)c(C)n1.
What is the InChIKey of (1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is HULBBYRNEHKHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-16-9-12(11(3)14-16)13(17)15-7-5-6-10(2)8-15/h9-10H,4-8H2,1-3H3.
What are the key properties of (1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone?
(1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 19575922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).