(5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone

C15H19N5O — CID 110194784

IUPAC(5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC(N(C)Cc3cccnc3)C2)n[nH]1
InChIInChI=1S/C15H19N5O/c1-11-6-14(18-17-11)15(21)20-9-13(10-20)19(2)8-12-4-3-5-16-7-12/h3-7,13H,8-10H2,1-2H3,(H,17,18)
InChIKeyZEZSQTCFULZLCM-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.07
Rot. Bonds4

About (5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone

(5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone (PubChem CID 110194784) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone
PubChem CID110194784
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC(N(C)Cc3cccnc3)C2)n[nH]1
InChIInChI=1S/C15H19N5O/c1-11-6-14(18-17-11)15(21)20-9-13(10-20)19(2)8-12-4-3-5-16-7-12/h3-7,13H,8-10H2,1-2H3,(H,17,18)
InChIKeyZEZSQTCFULZLCM-UHFFFAOYSA-N
XLogP1.07
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 56858466
tert-butyl (3R)-3-[methyl(pyridin-3-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647429
(3R)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96573291
[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56905411
5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 78880740
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
2-[1-(5-methyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681018
(2R,4R)-1-[(5-methylfuran-2-yl)methyl]-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid
CID 97415912
[4-[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]piperidin-1-yl]-pyridin-3-ylmethanone
CID 131900032
N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 47245198
N-[1-(1H-indole-4-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 91913615
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine
CID 126918908

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone (CID 110194784) is (5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone is Cc1cc(C(=O)N2CC(N(C)Cc3cccnc3)C2)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone?
The InChIKey is ZEZSQTCFULZLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-6-14(18-17-11)15(21)20-9-13(10-20)19(2)8-12-4-3-5-16-7-12/h3-7,13H,8-10H2,1-2H3,(H,17,18).
What are the key properties of (5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone?
(5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone has a molecular weight of 285.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)-[3-[methyl(pyridin-3-ylmethyl)amino]azetidin-1-yl]methanone is sourced from PubChem (CID 110194784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).