[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone

C14H16N4O — CID 154583687

IUPAC[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1cnn(CC2CN(C(=O)c3ccccn3)C2)c1
InChIInChI=1S/C14H16N4O/c1-11-6-16-18(7-11)10-12-8-17(9-12)14(19)13-4-2-3-5-15-13/h2-7,12H,8-10H2,1H3
InChIKeyMWOMWVMCAINUPC-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.36
Rot. Bonds3

About [3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone

[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 154583687) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is [3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone
PubChem CID154583687
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1cnn(CC2CN(C(=O)c3ccccn3)C2)c1
InChIInChI=1S/C14H16N4O/c1-11-6-16-18(7-11)10-12-8-17(9-12)14(19)13-4-2-3-5-15-13/h2-7,12H,8-10H2,1H3
InChIKeyMWOMWVMCAINUPC-UHFFFAOYSA-N
XLogP1.36
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone
CID 121184939
(5-fluoro-3-pyridinyl)-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]methanone
CID 154583688
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206
[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 91829986
[(3S)-1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124757098
(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110662556
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 80660201
4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine
CID 171701827

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone (CID 154583687) is [3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone is Cc1cnn(CC2CN(C(=O)c3ccccn3)C2)c1.
What is the InChIKey of [3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is MWOMWVMCAINUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-11-6-16-18(7-11)10-12-8-17(9-12)14(19)13-4-2-3-5-15-13/h2-7,12H,8-10H2,1H3.
What are the key properties of [3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone?
[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 256.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 154583687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).