(1-methylpyrazol-4-yl)-[3-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone

C16H20N4O — CID 110258082

IUPAC(1-methylpyrazol-4-yl)-[3-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3cnn(C)c3)C2)ccn1
InChIInChI=1S/C16H20N4O/c1-12-8-13(5-6-17-12)14-4-3-7-20(11-14)16(21)15-9-18-19(2)10-15/h5-6,8-10,14H,3-4,7,11H2,1-2H3
InChIKeyBNQJXWQGMLQTFP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.14
Rot. Bonds2

About (1-methylpyrazol-4-yl)-[3-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[3-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone (PubChem CID 110258082) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[3-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[3-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone
PubChem CID110258082
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(1-methylpyrazol-4-yl)-[3-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3cnn(C)c3)C2)ccn1
InChIInChI=1S/C16H20N4O/c1-12-8-13(5-6-17-12)14-4-3-7-20(11-14)16(21)15-9-18-19(2)10-15/h5-6,8-10,14H,3-4,7,11H2,1-2H3
InChIKeyBNQJXWQGMLQTFP-UHFFFAOYSA-N
XLogP2.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

FR-194921
CID 9821511
N-[4-(5-Ethyl-3-Pyridin-3-Yl-1h-Pyrazol-1-Yl)phenyl]pyridine-3-Carboxamide
CID 9820664
Cholesterol 24-hydroxylase-IN-1
CID 118450616
Pyrazole, 3,5-dimethyl-1-nicotinoyl-
CID 205203
N,5-dimethyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850677
1-Cyclohexyl-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
CID 6619939
1-(4-(3-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)ethanone
CID 22262550
N-[[6-(1,5-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 90013255
(1-Ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone
CID 118120155
1-(4-(4-cyclopropyl-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450464
N,N-dimethyl-1-(4-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450716
N-[[6-(1,3-dimethylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621278

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[3-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[3-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone (CID 110258082) is (1-methylpyrazol-4-yl)-[3-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[3-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[3-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone is Cc1cc(C2CCCN(C(=O)c3cnn(C)c3)C2)ccn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[3-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is BNQJXWQGMLQTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-8-13(5-6-17-12)14-4-3-7-20(11-14)16(21)15-9-18-19(2)10-15/h5-6,8-10,14H,3-4,7,11H2,1-2H3.
What are the key properties of (1-methylpyrazol-4-yl)-[3-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[3-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 284.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[3-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110258082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).