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

C18H21N5OS — CID 97123063

IUPAC[(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3ccn(C)n3)n[nH]2)s1
InChIInChI=1S/C18H21N5OS/c1-12-6-7-17(25-12)14-11-15(20-19-14)18(24)23-9-4-3-5-16(23)13-8-10-22(2)21-13/h6-8,10-11,16H,3-5,9H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyIZWIAPNXOLQRIL-INIZCTEOSA-N
MW355.47 g/mol
LogP3.55
Rot. Bonds3

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

[(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 97123063) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID97123063
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name[(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3ccn(C)n3)n[nH]2)s1
InChIInChI=1S/C18H21N5OS/c1-12-6-7-17(25-12)14-11-15(20-19-14)18(24)23-9-4-3-5-16(23)13-8-10-22(2)21-13/h6-8,10-11,16H,3-5,9H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyIZWIAPNXOLQRIL-INIZCTEOSA-N
XLogP3.55
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluorophenyl)azetidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70713095
(2R)-1-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]azetidine-2-carboxylic acid
CID 97284605
1-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]azetidine-2-carboxylic acid
CID 72929172
4,6-dimethyl-3-[(2R)-2-(1-methylpyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97123718
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 30836006
imidazo[2,1-b][1,3]thiazol-6-yl-[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 70754166
[(3R)-3-methylmorpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 37192686
[(4aS,7aR)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 133112307
1-(azepan-1-yl)-2-[4-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 25348298
(1-methylpyrazol-3-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824417
[2-(1-methylpyrazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 110225788
(6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 97132095

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone (CID 97123063) is [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3ccn(C)n3)n[nH]2)s1.
What is the InChIKey of [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is IZWIAPNXOLQRIL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-12-6-7-17(25-12)14-11-15(20-19-14)18(24)23-9-4-3-5-16(23)13-8-10-22(2)21-13/h6-8,10-11,16H,3-5,9H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone?
[(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 355.47 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 97123063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).