3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide

C20H23N5O2S — CID 99875799

IUPAC3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NC[C@H]2CCCN(c3nccs3)C2)[nH]n1
InChIInChI=1S/C20H23N5O2S/c1-27-18-7-3-2-6-15(18)16-11-17(24-23-16)19(26)22-12-14-5-4-9-25(13-14)20-21-8-10-28-20/h2-3,6-8,10-11,14H,4-5,9,12-13H2,1H3,(H,22,26)(H,23,24)/t14-/m1/s1
InChIKeyWGGYBBDVGXRBGC-CQSZACIVSA-N
MW397.50 g/mol
LogP3.19
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide

3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 99875799) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID99875799
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NC[C@H]2CCCN(c3nccs3)C2)[nH]n1
InChIInChI=1S/C20H23N5O2S/c1-27-18-7-3-2-6-15(18)16-11-17(24-23-16)19(26)22-12-14-5-4-9-25(13-14)20-21-8-10-28-20/h2-3,6-8,10-11,14H,4-5,9,12-13H2,1H3,(H,22,26)(H,23,24)/t14-/m1/s1
InChIKeyWGGYBBDVGXRBGC-CQSZACIVSA-N
XLogP3.19
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 99875791
4-(4-fluorophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 99875755
4-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 99875754
2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
1-(3,5-dimethoxyphenyl)-3-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]urea
CID 90621871
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide
CID 90621816
N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide
CID 99875760
2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621607
2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621618
2-(6-oxopyridazin-1-yl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875789
2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621923
methyl 2-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methylsulfamoyl]acetate
CID 90622007

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide (CID 99875799) is 3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NC[C@H]2CCCN(c3nccs3)C2)[nH]n1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WGGYBBDVGXRBGC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-27-18-7-3-2-6-15(18)16-11-17(24-23-16)19(26)22-12-14-5-4-9-25(13-14)20-21-8-10-28-20/h2-3,6-8,10-11,14H,4-5,9,12-13H2,1H3,(H,22,26)(H,23,24)/t14-/m1/s1.
What are the key properties of 3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 99875799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).