[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C19H20N4O2S — CID 70785248

IUPAC[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cscn3)CC2)c1
InChIInChI=1S/C19H20N4O2S/c1-25-15-4-2-3-14(9-15)16-10-21-22-18(16)13-5-7-23(8-6-13)19(24)17-11-26-12-20-17/h2-4,9-13H,5-8H2,1H3,(H,21,22)
InChIKeyYWDMBLCTNAANHP-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.56
Rot. Bonds4

About [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 70785248) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID70785248
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cscn3)CC2)c1
InChIInChI=1S/C19H20N4O2S/c1-25-15-4-2-3-14(9-15)16-10-21-22-18(16)13-5-7-23(8-6-13)19(24)17-11-26-12-20-17/h2-4,9-13H,5-8H2,1H3,(H,21,22)
InChIKeyYWDMBLCTNAANHP-UHFFFAOYSA-N
XLogP3.56
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(aminomethyl)phenyl]-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 154895013
(3-fluoro-4-pyridinyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56748447
[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 56738996
(1-ethylpyrazol-4-yl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70737159
4-(methoxymethyl)-6-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidine
CID 56749521
N-[4-[[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 42479585
[3-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(9-methylcarbazol-3-yl)methanone
CID 45179608
(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56752335
(4-aminopiperidin-1-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 139023916
1-[5-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 56760118
3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 56759715
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 74236610

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 70785248) is [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is COc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cscn3)CC2)c1.
What is the InChIKey of [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is YWDMBLCTNAANHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-25-15-4-2-3-14(9-15)16-10-21-22-18(16)13-5-7-23(8-6-13)19(24)17-11-26-12-20-17/h2-4,9-13H,5-8H2,1H3,(H,21,22).
What are the key properties of [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 368.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 70785248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).