[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone

C20H23N5O — CID 95340385

IUPAC[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
SMILESCc1ccccc1-n1ncc(C(=O)N2CCC[C@H](n3ccnc3)C2)c1C
InChIInChI=1S/C20H23N5O/c1-15-6-3-4-8-19(15)25-16(2)18(12-22-25)20(26)23-10-5-7-17(13-23)24-11-9-21-14-24/h3-4,6,8-9,11-12,14,17H,5,7,10,13H2,1-2H3/t17-/m0/s1
InChIKeyPIXGMVMGBMDSDE-KRWDZBQOSA-N
MW349.44 g/mol
LogP3.16
Rot. Bonds3

About [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone

[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone (PubChem CID 95340385) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
PubChem CID95340385
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
SMILESCc1ccccc1-n1ncc(C(=O)N2CCC[C@H](n3ccnc3)C2)c1C
InChIInChI=1S/C20H23N5O/c1-15-6-3-4-8-19(15)25-16(2)18(12-22-25)20(26)23-10-5-7-17(13-23)24-11-9-21-14-24/h3-4,6,8-9,11-12,14,17H,5,7,10,13H2,1-2H3/t17-/m0/s1
InChIKeyPIXGMVMGBMDSDE-KRWDZBQOSA-N
XLogP3.16
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 124689060
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 47089042
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 95345476
[4-(methylaminomethyl)piperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119543374
imidazo[1,2-a]pyridin-2-yl-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95350987
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95313752
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 95314140
(2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95325581
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 36993627
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 71897836
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride
CID 119493676

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone?
The IUPAC name of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone (CID 95340385) is [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone is Cc1ccccc1-n1ncc(C(=O)N2CCC[C@H](n3ccnc3)C2)c1C.
What is the InChIKey of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone?
The InChIKey is PIXGMVMGBMDSDE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-6-3-4-8-19(15)25-16(2)18(12-22-25)20(26)23-10-5-7-17(13-23)24-11-9-21-14-24/h3-4,6,8-9,11-12,14,17H,5,7,10,13H2,1-2H3/t17-/m0/s1.
What are the key properties of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone?
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone has a molecular weight of 349.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 95340385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).