(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone

C15H25ClN4O — CID 124688076

IUPAC(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNC[C@H]1CCCN(C(=O)c2c(C(C)C)nn(C)c2Cl)C1
InChIInChI=1S/C15H25ClN4O/c1-10(2)13-12(14(16)19(4)18-13)15(21)20-7-5-6-11(9-20)8-17-3/h10-11,17H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyMYHJGEJVZDJDSR-LLVKDONJSA-N
MW312.85 g/mol
LogP2.27
Rot. Bonds4

About (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone

(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 124688076) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID124688076
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNC[C@H]1CCCN(C(=O)c2c(C(C)C)nn(C)c2Cl)C1
InChIInChI=1S/C15H25ClN4O/c1-10(2)13-12(14(16)19(4)18-13)15(21)20-7-5-6-11(9-20)8-17-3/h10-11,17H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyMYHJGEJVZDJDSR-LLVKDONJSA-N
XLogP2.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 125134277
(3,5-dimethyl-1H-pyrazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205635
[1-(2-chlorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397283
(2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 106688448
(2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124688075
(3-tert-butyl-1-methylpyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398116
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
1-[3-(methylaminomethyl)piperidin-1-yl]-2-sulfanylpropan-1-one
CID 107024099
[3-(methylaminomethyl)piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone;hydrochloride
CID 119396984
(4-chloro-2-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204723
[3-(methylaminomethyl)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119397327
3-hydroxy-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61408514

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone (CID 124688076) is (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone is CNC[C@H]1CCCN(C(=O)c2c(C(C)C)nn(C)c2Cl)C1.
What is the InChIKey of (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is MYHJGEJVZDJDSR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-10(2)13-12(14(16)19(4)18-13)15(21)20-7-5-6-11(9-20)8-17-3/h10-11,17H,5-9H2,1-4H3/t11-/m1/s1.
What are the key properties of (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone?
(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 312.85 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124688076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).