[4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C28H29N5O3 — CID 24625309

IUPAC[4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N2CCN(Cc3ccncc3)CC2)cc1OC
InChIInChI=1S/C28H29N5O3/c1-35-25-9-8-22(18-26(25)36-2)24-20-33(23-6-4-3-5-7-23)30-27(24)28(34)32-16-14-31(15-17-32)19-21-10-12-29-13-11-21/h3-13,18,20H,14-17,19H2,1-2H3
InChIKeyWNYXSGMGSBLBQX-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.91
Rot. Bonds7

About [4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

[4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 24625309) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID24625309
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name[4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N2CCN(Cc3ccncc3)CC2)cc1OC
InChIInChI=1S/C28H29N5O3/c1-35-25-9-8-22(18-26(25)36-2)24-20-33(23-6-4-3-5-7-23)30-27(24)28(34)32-16-14-31(15-17-32)19-21-10-12-29-13-11-21/h3-13,18,20H,14-17,19H2,1-2H3
InChIKeyWNYXSGMGSBLBQX-UHFFFAOYSA-N
XLogP3.91
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 16594388
4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 1478012
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 16598960
(1,3-diphenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226122
4-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 16594232
(4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30086740
4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide
CID 112827519
(1-phenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226792
4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
CID 55847917
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylate
CID 46519216
[1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 99818472
N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide
CID 18149038

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 24625309) is [4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N2CCN(Cc3ccncc3)CC2)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is WNYXSGMGSBLBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-35-25-9-8-22(18-26(25)36-2)24-20-33(23-6-4-3-5-7-23)30-27(24)28(34)32-16-14-31(15-17-32)19-21-10-12-29-13-11-21/h3-13,18,20H,14-17,19H2,1-2H3.
What are the key properties of [4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
[4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 483.57 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24625309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).