(4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

C25H25N5O2S — CID 30086740

IUPAC(4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C25H25N5O2S/c1-32-22-17-30(21-10-6-3-7-11-21)27-23(22)25(31)29-14-12-28(13-15-29)16-20-18-33-24(26-20)19-8-4-2-5-9-19/h2-11,17-18H,12-16H2,1H3
InChIKeyMOWPWNYVTPCHTH-UHFFFAOYSA-N
MW459.58 g/mol
LogP3.96
Rot. Bonds6

About (4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

(4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 30086740) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is (4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID30086740
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC Name(4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C25H25N5O2S/c1-32-22-17-30(21-10-6-3-7-11-21)27-23(22)25(31)29-14-12-28(13-15-29)16-20-18-33-24(26-20)19-8-4-2-5-9-19/h2-11,17-18H,12-16H2,1H3
InChIKeyMOWPWNYVTPCHTH-UHFFFAOYSA-N
XLogP3.96
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523414
(3,4-dimethoxyphenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30463113
2-(2-methoxyphenoxy)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 30086333
2,2-dimethyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 37274617
ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate
CID 17404168
1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 32538830
(3-methylthiophen-2-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30214352
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 55683750
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
3-phenyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 30463070
1-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 26552668
2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 120703470

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (CID 30086740) is (4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is COc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of (4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is MOWPWNYVTPCHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c1-32-22-17-30(21-10-6-3-7-11-21)27-23(22)25(31)29-14-12-28(13-15-29)16-20-18-33-24(26-20)19-8-4-2-5-9-19/h2-11,17-18H,12-16H2,1H3.
What are the key properties of (4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
(4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 459.58 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30086740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).