[(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(3-methoxyphenyl)methanone

C20H25N3O3 — CID 42094175

IUPAC[(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(3-methoxyphenyl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCC[C@H](C(=O)c2cccc(OC)c2)C1
InChIInChI=1S/C20H25N3O3/c1-4-23-18(11-14(2)21-23)20(25)22-10-6-8-16(13-22)19(24)15-7-5-9-17(12-15)26-3/h5,7,9,11-12,16H,4,6,8,10,13H2,1-3H3/t16-/m0/s1
InChIKeyQUNFTZBTCZIOFL-INIZCTEOSA-N
MW355.44 g/mol
LogP2.96
Rot. Bonds5

About [(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(3-methoxyphenyl)methanone

[(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(3-methoxyphenyl)methanone (PubChem CID 42094175) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(3-methoxyphenyl)methanone
PubChem CID42094175
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(3-methoxyphenyl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCC[C@H](C(=O)c2cccc(OC)c2)C1
InChIInChI=1S/C20H25N3O3/c1-4-23-18(11-14(2)21-23)20(25)22-10-6-8-16(13-22)19(24)15-7-5-9-17(12-15)26-3/h5,7,9,11-12,16H,4,6,8,10,13H2,1-3H3/t16-/m0/s1
InChIKeyQUNFTZBTCZIOFL-INIZCTEOSA-N
XLogP2.96
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(3-methoxyphenyl)methanone (CID 42094175) is [(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(3-methoxyphenyl)methanone is CCn1nc(C)cc1C(=O)N1CCC[C@H](C(=O)c2cccc(OC)c2)C1.
What is the InChIKey of [(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(3-methoxyphenyl)methanone?
The InChIKey is QUNFTZBTCZIOFL-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-23-18(11-14(2)21-23)20(25)22-10-6-8-16(13-22)19(24)15-7-5-9-17(12-15)26-3/h5,7,9,11-12,16H,4,6,8,10,13H2,1-3H3/t16-/m0/s1.
What are the key properties of [(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(3-methoxyphenyl)methanone?
[(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(3-methoxyphenyl)methanone has a molecular weight of 355.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 42094175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).