[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C15H21N5O — CID 95848592

IUPAC[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1cn[nH]c1[C@@]1(C)CCCN(C(=O)c2ccn(C)n2)C1
InChIInChI=1S/C15H21N5O/c1-11-9-16-17-13(11)15(2)6-4-7-20(10-15)14(21)12-5-8-19(3)18-12/h5,8-9H,4,6-7,10H2,1-3H3,(H,16,17)/t15-/m0/s1
InChIKeyFMXDZJSYHPADAU-HNNXBMFYSA-N
MW287.37 g/mol
LogP1.65
Rot. Bonds2

About [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 95848592) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID95848592
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1cn[nH]c1[C@@]1(C)CCCN(C(=O)c2ccn(C)n2)C1
InChIInChI=1S/C15H21N5O/c1-11-9-16-17-13(11)15(2)6-4-7-20(10-15)14(21)12-5-8-19(3)18-12/h5,8-9H,4,6-7,10H2,1-3H3,(H,16,17)/t15-/m0/s1
InChIKeyFMXDZJSYHPADAU-HNNXBMFYSA-N
XLogP1.65
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone with MolForge

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Related Compounds

[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95848612
[3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110257094
2-methoxy-1-[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95848502
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781
(3R)-N,N,3-trimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 95815536
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
5-[(3R)-3-methyl-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95848600
5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95848569
(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 141314396
5-[3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 110272365
[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone
CID 110272344
[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110272338

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 95848592) is [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cc1cn[nH]c1[C@@]1(C)CCCN(C(=O)c2ccn(C)n2)C1.
What is the InChIKey of [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is FMXDZJSYHPADAU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-9-16-17-13(11)15(2)6-4-7-20(10-15)14(21)12-5-8-19(3)18-12/h5,8-9H,4,6-7,10H2,1-3H3,(H,16,17)/t15-/m0/s1.
What are the key properties of [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 287.37 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 95848592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).