1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone

C18H24N4O — CID 118740171

IUPAC1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCCCn1nccc1-c1cc(C2CCN(C(C)=O)CC2)ccn1
InChIInChI=1S/C18H24N4O/c1-3-10-22-18(5-9-20-22)17-13-16(4-8-19-17)15-6-11-21(12-7-15)14(2)23/h4-5,8-9,13,15H,3,6-7,10-12H2,1-2H3
InChIKeyWORYPDFXQFVTJO-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.08
Rot. Bonds4

About 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone

1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 118740171) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone
PubChem CID118740171
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCCCn1nccc1-c1cc(C2CCN(C(C)=O)CC2)ccn1
InChIInChI=1S/C18H24N4O/c1-3-10-22-18(5-9-20-22)17-13-16(4-8-19-17)15-6-11-21(12-7-15)14(2)23/h4-5,8-9,13,15H,3,6-7,10-12H2,1-2H3
InChIKeyWORYPDFXQFVTJO-UHFFFAOYSA-N
XLogP3.08
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

FR-194921
CID 9821511
2-(4-Isopropylphenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11717091
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
Cholesterol 24-hydroxylase-IN-1
CID 118450616
N-[2-(2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]propanamide
CID 25025104
N-[2-(2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]acetamide
CID 59145922
1-Benzyl-4-[3-(Pyridin-4-Yl)-2,4,6,7-Tetrahydro-5h-Pyrazolo[4,3-C]pyridin-5-Yl]pyridin-2(1h)-One
CID 91819624
US11213520, Example I-015
CID 139519627
1-[(3-Methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
CID 122186078
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
N-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)phenyl)-2-(pyrrolidin-1-yl)acetamide
CID 10273926
2-[5-(1-Phenethyl-piperidin-4-yl)-2H-pyrazol-3-yl]-pyridine
CID 10688035

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone (CID 118740171) is 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone is CCCn1nccc1-c1cc(C2CCN(C(C)=O)CC2)ccn1.
What is the InChIKey of 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is WORYPDFXQFVTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-10-22-18(5-9-20-22)17-13-16(4-8-19-17)15-6-11-21(12-7-15)14(2)23/h4-5,8-9,13,15H,3,6-7,10-12H2,1-2H3.
What are the key properties of 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 312.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118740171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).