(2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C19H21N5O — CID 95107346

IUPAC(2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C19H21N5O/c1-23-18(9-10-20-23)19(25)24-11-5-8-15(13-24)17-12-16(21-22-17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,15H,5,8,11,13H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyZSFFGTJUCILJBS-HNNXBMFYSA-N
MW335.41 g/mol
LogP2.83
Rot. Bonds3

About (2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95107346) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID95107346
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C19H21N5O/c1-23-18(9-10-20-23)19(25)24-11-5-8-15(13-24)17-12-16(21-22-17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,15H,5,8,11,13H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyZSFFGTJUCILJBS-HNNXBMFYSA-N
XLogP2.83
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 53185291
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023
[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53185286
(4-fluoro-2-methylphenyl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 141288566
[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95107364
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110249855
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95208493
(2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
CID 110196493
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119379296
[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 53185294
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95107346) is (2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cn1nccc1C(=O)N1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is ZSFFGTJUCILJBS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23-18(9-10-20-23)19(25)24-11-5-8-15(13-24)17-12-16(21-22-17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,15H,5,8,11,13H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95107346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).